1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide

C18H17N5O2 — CID 32637465

IUPAC1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2cn(Cc3ccccc3)nn2)c1
InChIInChI=1S/C18H17N5O2/c19-17(24)15-8-4-7-14(9-15)10-20-18(25)16-12-23(22-21-16)11-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H2,19,24)(H,20,25)
InChIKeyYDIQLQLUIKKXCV-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.36
Rot. Bonds6

About 1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide

1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide (PubChem CID 32637465) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide
PubChem CID32637465
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2cn(Cc3ccccc3)nn2)c1
InChIInChI=1S/C18H17N5O2/c19-17(24)15-8-4-7-14(9-15)10-20-18(25)16-12-23(22-21-16)11-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H2,19,24)(H,20,25)
InChIKeyYDIQLQLUIKKXCV-UHFFFAOYSA-N
XLogP1.36
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-[(3-carbamoylphenyl)methyl]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

N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567
2-[4-[(3-fluorophenyl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 66288334
N-benzyl-1-(2-(18F)fluoroethyl)triazole-4-carboxamide
CID 59757295
1-benzyltriazole-4-carbonyl chloride
CID 87720228
1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide
CID 25333094
1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide
CID 24627598
N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049431
4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl benzoate
CID 118627238
3-[(carbamoylamino)methyl]benzamide
CID 166184789
N,1-bis[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 42594376
3-[1-[(3-carbamoylphenyl)methyl]triazol-4-yl]propanoic acid
CID 107460604
N-[(3-aminophenyl)methyl]-1-methyltriazole-4-carboxamide
CID 110482133

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide (CID 32637465) is 1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide is NC(=O)c1cccc(CNC(=O)c2cn(Cc3ccccc3)nn2)c1.
What is the InChIKey of 1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide?
The InChIKey is YDIQLQLUIKKXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c19-17(24)15-8-4-7-14(9-15)10-20-18(25)16-12-23(22-21-16)11-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H2,19,24)(H,20,25).
What are the key properties of 1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide?
1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 32637465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).