[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylicacid, 7-amino-2-(methylthio)-, ethyl ester

Name: [1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylicacid, 7-amino-2-(methylthio)-, ethyl ester
SKU: ACM90559981
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CAS

90559-98-1

Catalog Number

ACM90559981

Category

Other Products

Molecular Weight

253.28

Molecular Formula

C9H11 N5 O2 S

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Specification

Synonyms

ETHYL 7-AMINO-2-(METHYLSULFANYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE;ETHYL 7-AMINO-2-(METHYLTHIO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE;Ethyl 7-amino-2-(methylthio)[1,2,3]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC Name

ethyl 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Canonical SMILES

CCOC(=O)C1=C(N2C(=NC(=N2)SC)N=C1)N

InChI Key

GULODKWZYHQFFL-UHFFFAOYSA-N

Density

1.59g/cm³

Exact Mass

253.06300

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound described in the reference?

The molecular formula is C9H11N5O2S.

What are some synonyms for the compound?

Some synonyms include ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate and ethyl 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

What is the molecular weight of the compound?

The molecular weight is 253.28 g/mol.

What is the InChIKey of the compound?

The InChIKey is GULODKWZYHQFFL-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in the compound?

There is 1 hydrogen bond donor count.

What is the topological polar surface area of the compound?

The topological polar surface area is 121Å².

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the defined atom stereocenter count of the compound?

The defined atom stereocenter count is 0.