N-benzyl-1H-1,2,4-triazole-5-carboxamide

C10H10N4O — CID 1072357

IUPACN-benzyl-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ncn[nH]1
InChIInChI=1S/C10H10N4O/c15-10(9-12-7-13-14-9)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,15)(H,12,13,14)
InChIKeyRMWPCPKYWQJAHT-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.73
Rot. Bonds3

About N-benzyl-1H-1,2,4-triazole-5-carboxamide

N-benzyl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 1072357) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is N-benzyl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1H-1,2,4-triazole-5-carboxamide
PubChem CID1072357
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC NameN-benzyl-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ncn[nH]1
InChIInChI=1S/C10H10N4O/c15-10(9-12-7-13-14-9)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,15)(H,12,13,14)
InChIKeyRMWPCPKYWQJAHT-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-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 686169
N-benzyl-2-(tetrazol-1-yl)acetamide
CID 2166167
N-[1-(4-Ethylphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 590730
1-[(1R)-1-phenylethyl]-3-[N'-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamimidoyl]urea;dihydrochloride
CID 168290234
N-(2-phenylethyl)-1H-1,2,4-triazole-3-carboxamide
CID 1378149
N-(4-chlorobenzyl)-1H-1,2,4-triazole-3-carboxamide
CID 2976151
N-[(1S)-1-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 11957302
[(1R)-1-[(5-benzyl-1H-1,2,4-triazole-3-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155532867
[(1R)-1-[(1-benzyl-1,2,4-triazole-3-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155563323
N-(2,5-difluorobenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3836485
N-[2-(4-chlorophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 586663
N-(2-phenylethyl)-2-(4H-1,2,4-triazol-3-yl)acetamide
CID 1263172

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-benzyl-1H-1,2,4-triazole-5-carboxamide (CID 1072357) is N-benzyl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-benzyl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-benzyl-1H-1,2,4-triazole-5-carboxamide is O=C(NCc1ccccc1)c1ncn[nH]1.
What is the InChIKey of N-benzyl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is RMWPCPKYWQJAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c15-10(9-12-7-13-14-9)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-1H-1,2,4-triazole-5-carboxamide?
N-benzyl-1H-1,2,4-triazole-5-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-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 1072357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).