4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-one

C8H8N4O2 — CID 136643467

IUPAC4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-one
SMILESNn1c(-c2ccc(O)cc2)n[nH]c1=O
InChIInChI=1S/C8H8N4O2/c9-12-7(10-11-8(12)14)5-1-3-6(13)4-2-5/h1-4,13H,9H2,(H,11,14)
InChIKeyPRDNBVNOXTXKJL-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.34
Rot. Bonds1

About 4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-one

4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-one (PubChem CID 136643467) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-one
PubChem CID136643467
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-one
SMILESNn1c(-c2ccc(O)cc2)n[nH]c1=O
InChIInChI=1S/C8H8N4O2/c9-12-7(10-11-8(12)14)5-1-3-6(13)4-2-5/h1-4,13H,9H2,(H,11,14)
InChIKeyPRDNBVNOXTXKJL-UHFFFAOYSA-N
XLogP-0.34
TPSA96.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-amino-3-(4-hydroxyphenyl)-1H-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

4-[6-(4-Hydroxyphenyl)-1,2-dihydro-1,2,4,5-tetrazin-3-yl]phenol
CID 300452
4-(4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol
CID 135704458
5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
CID 135407154
4-[(3-Mercapto-5-phenyl-[1,2,4]triazol-4-ylimino)-methyl]-phenol
CID 135501988
6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one
CID 4091564
5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-ol
CID 135466832
4-[(E)-benzylideneamino]-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
CID 135927788
3-(4-hydroxyphenyl)-4-[(E)-(3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 137133352
4-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one
CID 137133358
4-Amino-5-(4-methoxy-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
CID 609801
4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol
CID 704094
6-(4-hydroxyphenyl)-4-phenyl-1H-1,3,5-triazin-2-one
CID 156780127

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-one (CID 136643467) is 4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-one is Nn1c(-c2ccc(O)cc2)n[nH]c1=O.
What is the InChIKey of 4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-one?
The InChIKey is PRDNBVNOXTXKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-12-7(10-11-8(12)14)5-1-3-6(13)4-2-5/h1-4,13H,9H2,(H,11,14).
What are the key properties of 4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-one?
4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-one has a molecular weight of 192.18 g/mol, XLogP of -0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 136643467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).