1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide

C13H14N6O2 — CID 163312396

IUPAC1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCc1nc2ccc(CNC(=O)c3nn(C)c(=O)[nH]3)cc2[nH]1
InChIInChI=1S/C13H14N6O2/c1-7-15-9-4-3-8(5-10(9)16-7)6-14-12(20)11-17-13(21)19(2)18-11/h3-5H,6H2,1-2H3,(H,14,20)(H,15,16)(H,17,18,21)
InChIKeyRUFOBBZEKPJGAF-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.22
Rot. Bonds3

About 1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide

1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide (PubChem CID 163312396) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
PubChem CID163312396
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCc1nc2ccc(CNC(=O)c3nn(C)c(=O)[nH]3)cc2[nH]1
InChIInChI=1S/C13H14N6O2/c1-7-15-9-4-3-8(5-10(9)16-7)6-14-12(20)11-17-13(21)19(2)18-11/h3-5H,6H2,1-2H3,(H,14,20)(H,15,16)(H,17,18,21)
InChIKeyRUFOBBZEKPJGAF-UHFFFAOYSA-N
XLogP0.22
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-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

(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613
1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 115182270
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 74246041
2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide
CID 90653335
1-methyl-N-[(2-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849749
2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 162625615
4-[(2-methyl-3H-benzimidazol-5-yl)methylamino]butan-2-one
CID 115235708

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide (CID 163312396) is 1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide is Cc1nc2ccc(CNC(=O)c3nn(C)c(=O)[nH]3)cc2[nH]1.
What is the InChIKey of 1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is RUFOBBZEKPJGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-7-15-9-4-3-8(5-10(9)16-7)6-14-12(20)11-17-13(21)19(2)18-11/h3-5H,6H2,1-2H3,(H,14,20)(H,15,16)(H,17,18,21).
What are the key properties of 1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide?
1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 163312396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).