2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one

C13H14N6O — CID 57153179

IUPAC2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one
SMILESO=c1cnn(-c2ccccc2NCCn2ccnc2)[nH]1
InChIInChI=1S/C13H14N6O/c20-13-9-16-19(17-13)12-4-2-1-3-11(12)15-6-8-18-7-5-14-10-18/h1-5,7,9-10,15H,6,8H2,(H,17,20)
InChIKeyLWLKDQBDUDZKFV-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.87
Rot. Bonds5

About 2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one

2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one (PubChem CID 57153179) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one.

Molecular Properties

Compound Name2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one
PubChem CID57153179
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one
SMILESO=c1cnn(-c2ccccc2NCCn2ccnc2)[nH]1
InChIInChI=1S/C13H14N6O/c20-13-9-16-19(17-13)12-4-2-1-3-11(12)15-6-8-18-7-5-14-10-18/h1-5,7,9-10,15H,6,8H2,(H,17,20)
InChIKeyLWLKDQBDUDZKFV-UHFFFAOYSA-N
XLogP0.87
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one 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

2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
2-(2-imidazol-1-ylethylamino)benzonitrile
CID 60677676
2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide
CID 61326146
3-N-(2-imidazol-1-ylethyl)-2-nitrobenzene-1,3-diamine
CID 80804235
N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide
CID 61325529
5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one
CID 115576990
N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide
CID 62153349
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
2-(difluoromethylsulfonyl)-N-(3-imidazol-1-ylpropyl)aniline
CID 43455408
2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine
CID 130834561
4-bromo-5-(2-imidazol-1-ylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114435124
N-(3-imidazol-1-ylpropyl)-2-nitropyridin-3-amine
CID 112685068

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one?
The IUPAC name of 2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one (CID 57153179) is 2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one.
What is the SMILES notation for 2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one?
The canonical SMILES for 2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one is O=c1cnn(-c2ccccc2NCCn2ccnc2)[nH]1.
What is the InChIKey of 2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one?
The InChIKey is LWLKDQBDUDZKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c20-13-9-16-19(17-13)12-4-2-1-3-11(12)15-6-8-18-7-5-14-10-18/h1-5,7,9-10,15H,6,8H2,(H,17,20).
What are the key properties of 2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one?
2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one has a molecular weight of 270.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one is sourced from PubChem (CID 57153179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).