3-phenyl-1,4-dihydro-1,2,4-triazol-5-one

C8H7N3O — CID 135418902

IUPAC3-phenyl-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccccc2)[nH]1
InChIInChI=1S/C8H7N3O/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12)
InChIKeyFFSXNTGAFSVILG-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.76
Rot. Bonds1

About 3-phenyl-1,4-dihydro-1,2,4-triazol-5-one

3-phenyl-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 135418902) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-phenyl-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-phenyl-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID135418902
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name3-phenyl-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccccc2)[nH]1
InChIInChI=1S/C8H7N3O/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12)
InChIKeyFFSXNTGAFSVILG-UHFFFAOYSA-N
XLogP0.76
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-1,4-dihydro-1,2,4-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

3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-phenyl-
CID 3039311
3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(4-methylphenyl)-
CID 3088276
3H-1,2,4-Triazol-3-one, 1,2-dihydro-2-methyl-5-phenyl-
CID 135418901
4-Amino-6-phenyl-s-triazine-2-ol
CID 135408760
3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl-
CID 120469
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-fluorophenyl)-4-methyl-
CID 3087750
4-Ethyl-2,4-dihydro-5-phenyl-3H-1,2,4-triazol-3-one
CID 11971119
4-amino-3-phenyl-1H-1,2,4-triazol-5-one
CID 384494
3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-phenyl-
CID 3087745
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl-
CID 3088272
3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)-
CID 3088277
3-benzyl-1H-1,2,4-triazol-5(4H)-one
CID 135452703

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-phenyl-1,4-dihydro-1,2,4-triazol-5-one (CID 135418902) is 3-phenyl-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-phenyl-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-phenyl-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(-c2ccccc2)[nH]1.
What is the InChIKey of 3-phenyl-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is FFSXNTGAFSVILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12).
What are the key properties of 3-phenyl-1,4-dihydro-1,2,4-triazol-5-one?
3-phenyl-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 161.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 135418902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).