7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C14H13N5OS — CID 16585067

IUPAC7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCSc1nc2ncc(C(=O)Nc3ccccc3)c(C)n2n1
InChIInChI=1S/C14H13N5OS/c1-9-11(12(20)16-10-6-4-3-5-7-10)8-15-13-17-14(21-2)18-19(9)13/h3-8H,1-2H3,(H,16,20)
InChIKeyRHBDIYSZSSFWIF-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.41
Rot. Bonds3

About 7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 16585067) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID16585067
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCSc1nc2ncc(C(=O)Nc3ccccc3)c(C)n2n1
InChIInChI=1S/C14H13N5OS/c1-9-11(12(20)16-10-6-4-3-5-7-10)8-15-13-17-14(21-2)18-19(9)13/h3-8H,1-2H3,(H,16,20)
InChIKeyRHBDIYSZSSFWIF-UHFFFAOYSA-N
XLogP2.41
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-iodophenyl)-7-methyl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 56766287
2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641461
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
CID 8823767
5-bromo-2-methylsulfanyl-N-phenylpyrimidine-4-carboxamide
CID 17014128
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pyridin-2-ylacetamide
CID 18162398
N-(2-anilino-3-methylbutyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 55536000
1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 17392294
(7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136753641
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide
CID 18146528
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide
CID 51273211
N-cyclopentyl-2-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzamide
CID 28542655

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 16585067) is 7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CSc1nc2ncc(C(=O)Nc3ccccc3)c(C)n2n1.
What is the InChIKey of 7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is RHBDIYSZSSFWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-9-11(12(20)16-10-6-4-3-5-7-10)8-15-13-17-14(21-2)18-19(9)13/h3-8H,1-2H3,(H,16,20).
What are the key properties of 7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 16585067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).