4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazol-5-one

C9H9N3O2 — CID 107410736

IUPAC4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazol-5-one
SMILESCc1ccc(-n2cn[nH]c2=O)cc1O
InChIInChI=1S/C9H9N3O2/c1-6-2-3-7(4-8(6)13)12-5-10-11-9(12)14/h2-5,13H,1H3,(H,11,14)
InChIKeyQJAIPINTXRRUHG-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.57
Rot. Bonds1

About 4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazol-5-one

4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazol-5-one (PubChem CID 107410736) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazol-5-one
PubChem CID107410736
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazol-5-one
SMILESCc1ccc(-n2cn[nH]c2=O)cc1O
InChIInChI=1S/C9H9N3O2/c1-6-2-3-7(4-8(6)13)12-5-10-11-9(12)14/h2-5,13H,1H3,(H,11,14)
InChIKeyQJAIPINTXRRUHG-UHFFFAOYSA-N
XLogP0.57
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Hydroxy-p-tolyl)urea
CID 85554
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide
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4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one
CID 141309355
4-[2-fluoro-4-(3-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one
CID 141309369
3-(4-amino-2-hydroxyphenyl)-4-(2,3-difluorophenyl)-1H-1,2,4-triazol-5-one
CID 143589094
N,N-dimethyl-N'-(3-hydroxy-4-isopropyl-phenyl)-urea
CID 100972112
Hydroxy-10,11-dihydro-5h-dibenzazepine-5-carboxamide
CID 129704828
(e)-2-(4-(Diethylamino)-2-hydroxybenzylidene)hydrazine-1-carboxamide
CID 135614438
(e)-N'-(4-(diethylamino)-2-hydroxybenzylidene)hydrazinecarbohydrazide
CID 176469574
1-(3-Hydroxy-4-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 116013094
4-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1H-1,2,4-triazol-5-one
CID 164994601
1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea
CID 135607524

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazol-5-one (CID 107410736) is 4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazol-5-one is Cc1ccc(-n2cn[nH]c2=O)cc1O.
What is the InChIKey of 4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazol-5-one?
The InChIKey is QJAIPINTXRRUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-6-2-3-7(4-8(6)13)12-5-10-11-9(12)14/h2-5,13H,1H3,(H,11,14).
What are the key properties of 4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazol-5-one?
4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazol-5-one has a molecular weight of 191.19 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).