2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide

C9H12N6OS — CID 1491279

IUPAC2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nc(N)cc2ncnn12
InChIInChI=1S/C9H12N6OS/c1-14(2)8(16)4-17-9-13-6(10)3-7-11-5-12-15(7)9/h3,5H,4,10H2,1-2H3
InChIKeyBEBCRPBNYSSXNT-UHFFFAOYSA-N
MW252.30 g/mol
LogP-0.11
Rot. Bonds3

About 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide

2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide (PubChem CID 1491279) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide
PubChem CID1491279
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nc(N)cc2ncnn12
InChIInChI=1S/C9H12N6OS/c1-14(2)8(16)4-17-9-13-6(10)3-7-11-5-12-15(7)9/h3,5H,4,10H2,1-2H3
InChIKeyBEBCRPBNYSSXNT-UHFFFAOYSA-N
XLogP-0.11
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide (CID 1491279) is 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide is CN(C)C(=O)CSc1nc(N)cc2ncnn12.
What is the InChIKey of 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide?
The InChIKey is BEBCRPBNYSSXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-14(2)8(16)4-17-9-13-6(10)3-7-11-5-12-15(7)9/h3,5H,4,10H2,1-2H3.
What are the key properties of 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide?
2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide has a molecular weight of 252.30 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 1491279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).