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

C8H7N3O2 — CID 135957065

IUPAC3-(4-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccc(O)cc2)[nH]1
InChIInChI=1S/C8H7N3O2/c12-6-3-1-5(2-4-6)7-9-8(13)11-10-7/h1-4,12H,(H2,9,10,11,13)
InChIKeyNAECUDKACBMPDX-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.47
Rot. Bonds1

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

3-(4-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 135957065) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID135957065
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-(4-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccc(O)cc2)[nH]1
InChIInChI=1S/C8H7N3O2/c12-6-3-1-5(2-4-6)7-9-8(13)11-10-7/h1-4,12H,(H2,9,10,11,13)
InChIKeyNAECUDKACBMPDX-UHFFFAOYSA-N
XLogP0.47
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)benzaldehyde
CID 136966049
3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135818619
ethane;3-[4-(4-hydroxy-2,3,5-trimethylphenoxy)phenyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136658464
3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136888745
3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137093046
3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135957060
6-(4-hydroxyphenyl)-4-phenyl-1H-1,3,5-triazin-2-one
CID 156780127
5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one
CID 136965927
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135624303
4-amino-2-(4-hydroxyphenyl)-5-nitroso-1H-pyrimidin-6-one
CID 152778097
4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol
CID 135671338

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(4-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 135957065) is 3-(4-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(-c2ccc(O)cc2)[nH]1.
What is the InChIKey of 3-(4-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is NAECUDKACBMPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-6-3-1-5(2-4-6)7-9-8(13)11-10-7/h1-4,12H,(H2,9,10,11,13).
What are the key properties of 3-(4-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(4-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 177.16 g/mol, XLogP of 0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 135957065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).