N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C15H14N4OS — CID 30848925

IUPACN-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCSc1ccc(CNC(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C15H14N4OS/c1-21-13-5-2-11(3-6-13)8-16-15(20)12-4-7-14-18-17-10-19(14)9-12/h2-7,9-10H,8H2,1H3,(H,16,20)
InChIKeyQCHDHUWMPWGETQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.38
Rot. Bonds4

About N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 30848925) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID30848925
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCSc1ccc(CNC(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C15H14N4OS/c1-21-13-5-2-11(3-6-13)8-16-15(20)12-4-7-14-18-17-10-19(14)9-12/h2-7,9-10H,8H2,1H3,(H,16,20)
InChIKeyQCHDHUWMPWGETQ-UHFFFAOYSA-N
XLogP2.38
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(Phenylsulfonyl)benzyl]-2h-Pyrazolo[3,4-B]pyridine-5-Carboxamide
CID 66610004
2-Phenyl[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 44549510
N-(4-(phenylsulfonyl)benzyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 68276866
N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 68277440
(3R)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide
CID 92895287
(3S)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide
CID 92895288
3-([1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one
CID 2622858
N-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide
CID 2622866
4-[6-(2,4-Difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]benzamide;hydrochloride
CID 46226941
4-[6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-methylbenzamide;hydrochloride
CID 46226947
3-[6-(2,4-Difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]benzamide;hydrochloride
CID 46226958
N-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53006777

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 30848925) is N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CSc1ccc(CNC(=O)c2ccc3nncn3c2)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is QCHDHUWMPWGETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-21-13-5-2-11(3-6-13)8-16-15(20)12-4-7-14-18-17-10-19(14)9-12/h2-7,9-10H,8H2,1H3,(H,16,20).
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 30848925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).