5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

C16H16N6O — CID 3240831

IUPAC5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCc3ccccn3)c2N)c1
InChIInChI=1S/C16H16N6O/c1-11-5-4-7-13(9-11)22-15(17)14(20-21-22)16(23)19-10-12-6-2-3-8-18-12/h2-9H,10,17H2,1H3,(H,19,23)
InChIKeySRSMWECCOYBHMV-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.48
Rot. Bonds4

About 5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 3240831) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
PubChem CID3240831
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCc3ccccn3)c2N)c1
InChIInChI=1S/C16H16N6O/c1-11-5-4-7-13(9-11)22-15(17)14(20-21-22)16(23)19-10-12-6-2-3-8-18-12/h2-9H,10,17H2,1H3,(H,19,23)
InChIKeySRSMWECCOYBHMV-UHFFFAOYSA-N
XLogP1.48
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-N-Methyl-6-[3-(1h-Tetrazol-5-Yl)phenyl]pyrazine-2-Carboxamide
CID 10357196
Tyk2-IN-2
CID 129626433
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide
CID 58081260
N-cyclopropyl-6-((3,5-dimethylphenyl)amino)-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 145989684
1-[1-(4-methylphenyl)ethyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 6483911
3-(3-Fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
CID 7162117
3-(3,4-Dimethylphenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
CID 7162124
3-amino-N-cyclopentyl-6-phenyl-2-Pyrazinecarboxamide
CID 10401520
3-Amino-n,6-diphenylpyrazine-2-carboxamide
CID 46834296
3-Amino-n-phenyl-6-(pyridin-3-yl)pyrazine-2-carboxamide
CID 52937251
3-Amino-n-phenyl-6-(pyridin-4-yl)pyrazine-2-carboxamide
CID 52937252
3-amino-N-phenyl-6-(m-tolyl)pyrazine-2-carboxamide
CID 52937362

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (CID 3240831) is 5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)NCc3ccccn3)c2N)c1.
What is the InChIKey of 5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is SRSMWECCOYBHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-11-5-4-7-13(9-11)22-15(17)14(20-21-22)16(23)19-10-12-6-2-3-8-18-12/h2-9H,10,17H2,1H3,(H,19,23).
What are the key properties of 5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 3240831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).