3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine

C15H14ClN5 — CID 22332074

IUPAC3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NCc2ccccc2Cl)nn1-c1ccccc1
InChIInChI=1S/C15H14ClN5/c16-13-9-5-4-6-11(13)10-18-15-19-14(17)21(20-15)12-7-2-1-3-8-12/h1-9H,10H2,(H3,17,18,19,20)
InChIKeyKXEZIGZYUKMYGL-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.12
Rot. Bonds4

About 3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine

3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine (PubChem CID 22332074) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine
PubChem CID22332074
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NCc2ccccc2Cl)nn1-c1ccccc1
InChIInChI=1S/C15H14ClN5/c16-13-9-5-4-6-11(13)10-18-15-19-14(17)21(20-15)12-7-2-1-3-8-12/h1-9H,10H2,(H3,17,18,19,20)
InChIKeyKXEZIGZYUKMYGL-UHFFFAOYSA-N
XLogP3.12
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine 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

5-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine
CID 8071206
N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine
CID 11508020
1-(2,3-dichlorophenyl)-N-[(1R)-1-phenylethyl]tetrazol-5-amine
CID 11537311
1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine
CID 11652890
N-benzyl-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine
CID 44453843
1-(2,3-dichlorophenyl)-N-[(3-fluorophenyl)methyl]tetrazol-5-amine
CID 54580660
N-[(3-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
CID 54580661
1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine
CID 54580682
1-(2,3-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 54582681
1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine
CID 54583647
N-[(5-chloro-2-fluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
CID 54584622
N-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
CID 54584623

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine (CID 22332074) is 3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine is Nc1nc(NCc2ccccc2Cl)nn1-c1ccccc1.
What is the InChIKey of 3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine?
The InChIKey is KXEZIGZYUKMYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c16-13-9-5-4-6-11(13)10-18-15-19-14(17)21(20-15)12-7-2-1-3-8-12/h1-9H,10H2,(H3,17,18,19,20).
What are the key properties of 3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine?
3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine has a molecular weight of 299.77 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 22332074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).