N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide

C15H14N4O2 — CID 102109798

IUPACN-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nn1)c1ccco1
InChIInChI=1S/C15H14N4O2/c20-15(14-7-4-8-21-14)16-9-13-11-19(18-17-13)10-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,16,20)
InChIKeyJVGUTYOKLNLKMP-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.85
Rot. Bonds5

About N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide

N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 102109798) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide
PubChem CID102109798
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nn1)c1ccco1
InChIInChI=1S/C15H14N4O2/c20-15(14-7-4-8-21-14)16-9-13-11-19(18-17-13)10-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,16,20)
InChIKeyJVGUTYOKLNLKMP-UHFFFAOYSA-N
XLogP1.85
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-benzyltriazol-4-yl)methyl]furan-2-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

1-[(1-benzyltriazol-4-yl)methyl]-3-(2-oxopropyl)urea
CID 90805878
2-[(1-benzyltriazol-4-yl)methylamino]acetic acid
CID 102473436
N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide
CID 102109795
2-amino-3-(1-benzyltriazol-4-yl)propanoic acid
CID 24884626
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
4-[(1-benzyltriazol-4-yl)methylcarbamoylamino]-N-(4-phenoxyphenyl)benzamide
CID 66555296
2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide
CID 58120099
1,4-dibenzyltriazole
CID 56663361
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
dimethyl 2-[(1-benzyltriazol-4-yl)methyl]propanedioate
CID 132562921
2-[4-[[(5-bromofuran-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113313813

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide (CID 102109798) is N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide is O=C(NCc1cn(Cc2ccccc2)nn1)c1ccco1.
What is the InChIKey of N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide?
The InChIKey is JVGUTYOKLNLKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-15(14-7-4-8-21-14)16-9-13-11-19(18-17-13)10-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,16,20).
What are the key properties of N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide?
N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 102109798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).