3-(3-chloro-4-hydroxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one

C9H8ClN3O2 — CID 136821930

IUPAC3-(3-chloro-4-hydroxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESO=C1CN=C(c2ccc(O)c(Cl)c2)NN1
InChIInChI=1S/C9H8ClN3O2/c10-6-3-5(1-2-7(6)14)9-11-4-8(15)12-13-9/h1-3,14H,4H2,(H,11,13)(H,12,15)
InChIKeyQEQCHSLOVDVQLB-UHFFFAOYSA-N
MW225.63 g/mol
LogP0.43
Rot. Bonds1

About 3-(3-chloro-4-hydroxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one

3-(3-chloro-4-hydroxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one (PubChem CID 136821930) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.63 g/mol. Its IUPAC name is 3-(3-chloro-4-hydroxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name3-(3-chloro-4-hydroxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one
PubChem CID136821930
Molecular FormulaC9H8ClN3O2
Molecular Weight225.63 g/mol
Exact Mass225.03
IUPAC Name3-(3-chloro-4-hydroxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESO=C1CN=C(c2ccc(O)c(Cl)c2)NN1
InChIInChI=1S/C9H8ClN3O2/c10-6-3-5(1-2-7(6)14)9-11-4-8(15)12-13-9/h1-3,14H,4H2,(H,11,13)(H,12,15)
InChIKeyQEQCHSLOVDVQLB-UHFFFAOYSA-N
XLogP0.43
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 110187680
3-(3,5-dichlorophenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 68959507
3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 13365874
4-(1,3-benzodioxol-5-yl)-2-chlorophenol
CID 39232296
2-chloro-4-(5-fluoro-3-pyridinyl)phenol
CID 83131119
2-chloro-4-(3,4,5-trifluorophenyl)phenol
CID 83130414
3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 136660992
2-chloro-4-(1,3-oxazol-2-yl)phenol
CID 137195866
2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide
CID 142035171
2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one
CID 135974715
2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 136929316
2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol
CID 136927109

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one?
The IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one (CID 136821930) is 3-(3-chloro-4-hydroxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one.
What is the SMILES notation for 3-(3-chloro-4-hydroxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one?
The canonical SMILES for 3-(3-chloro-4-hydroxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one is O=C1CN=C(c2ccc(O)c(Cl)c2)NN1.
What is the InChIKey of 3-(3-chloro-4-hydroxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one?
The InChIKey is QEQCHSLOVDVQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c10-6-3-5(1-2-7(6)14)9-11-4-8(15)12-13-9/h1-3,14H,4H2,(H,11,13)(H,12,15).
What are the key properties of 3-(3-chloro-4-hydroxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one?
3-(3-chloro-4-hydroxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one has a molecular weight of 225.63 g/mol, XLogP of 0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-hydroxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one is sourced from PubChem (CID 136821930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).