4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide

C13H12N6OS — CID 61166742

IUPAC4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cccnc2-n2cncn2)cc1N
InChIInChI=1S/C13H12N6OS/c1-8-9(14)5-11(21-8)13(20)18-10-3-2-4-16-12(10)19-7-15-6-17-19/h2-7H,14H2,1H3,(H,18,20)
InChIKeyWMPKIPHTZHMMNW-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.87
Rot. Bonds3

About 4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide

4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 61166742) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
PubChem CID61166742
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC Name4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cccnc2-n2cncn2)cc1N
InChIInChI=1S/C13H12N6OS/c1-8-9(14)5-11(21-8)13(20)18-10-3-2-4-16-12(10)19-7-15-6-17-19/h2-7H,14H2,1H3,(H,18,20)
InChIKeyWMPKIPHTZHMMNW-UHFFFAOYSA-N
XLogP1.87
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51983091
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
CID 119859600
2-bromo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 103752649
2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 47084179
4-oxo-4-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]but-2-enoic acid
CID 61167729
4-amino-5-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 61089790
6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide
CID 61217247
3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51097996
2-methoxy-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 62046673
4-amino-N-(2,5-dimethylpyrazol-3-yl)-5-methylthiophene-2-carboxamide
CID 61090609
4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 81087312
6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide
CID 61170515

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide (CID 61166742) is 4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide is Cc1sc(C(=O)Nc2cccnc2-n2cncn2)cc1N.
What is the InChIKey of 4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is WMPKIPHTZHMMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c1-8-9(14)5-11(21-8)13(20)18-10-3-2-4-16-12(10)19-7-15-6-17-19/h2-7H,14H2,1H3,(H,18,20).
What are the key properties of 4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide?
4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 61166742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).