N-benzyl-2H-triazole-4-carboxamide

C10H10N4O — CID 47334751

IUPACN-benzyl-2H-triazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cn[nH]n1
InChIInChI=1S/C10H10N4O/c15-10(9-7-12-14-13-9)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,15)(H,12,13,14)
InChIKeyRWEZUMGQGUUTBY-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.73
Rot. Bonds3

About N-benzyl-2H-triazole-4-carboxamide

N-benzyl-2H-triazole-4-carboxamide (PubChem CID 47334751) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is N-benzyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2H-triazole-4-carboxamide
PubChem CID47334751
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC NameN-benzyl-2H-triazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cn[nH]n1
InChIInChI=1S/C10H10N4O/c15-10(9-7-12-14-13-9)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,15)(H,12,13,14)
InChIKeyRWEZUMGQGUUTBY-UHFFFAOYSA-N
XLogP0.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(benzylamino)-2-oxoethyl]-2H-triazole-4-carboxamide
CID 47262469
N-[(3-cyanophenyl)methyl]-2H-triazole-4-carboxamide
CID 47338495
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2H-triazole-4-carboxamide
CID 78981160
N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide
CID 47338743
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide
CID 115636783
N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide
CID 110475489
N-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide
CID 82748926
N-propyl-2H-triazole-4-carboxamide
CID 54219715
2H-triazole-4-carbohydrazide
CID 50989778
N-[(1-phenylsulfanylcyclopropyl)methyl]-2H-triazole-4-carboxamide
CID 56785490
N-(3-methylbut-2-enyl)-2H-triazole-4-carboxamide
CID 103528182

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2H-triazole-4-carboxamide?
The IUPAC name of N-benzyl-2H-triazole-4-carboxamide (CID 47334751) is N-benzyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-benzyl-2H-triazole-4-carboxamide is O=C(NCc1ccccc1)c1cn[nH]n1.
What is the InChIKey of N-benzyl-2H-triazole-4-carboxamide?
The InChIKey is RWEZUMGQGUUTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c15-10(9-7-12-14-13-9)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,15)(H,12,13,14).
What are the key properties of N-benzyl-2H-triazole-4-carboxamide?
N-benzyl-2H-triazole-4-carboxamide has a molecular weight of 202.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 47334751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).