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

C8H6ClN3O — CID 135957060

IUPAC3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C8H6ClN3O/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChIKeyJUVRBKARTKAMIG-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.42
Rot. Bonds1

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

3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 135957060) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID135957060
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C8H6ClN3O/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChIKeyJUVRBKARTKAMIG-UHFFFAOYSA-N
XLogP1.42
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136888745
5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588453
6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one
CID 22279011
4-(chloromethyl)-2-(3-chlorophenyl)-1H-pyrimidin-6-one
CID 135978468
3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one
CID 83868818
2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one
CID 136509859
3-(4-chloro-2-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136873215
3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
CID 117142187
5-(3-chlorophenyl)-3-propan-2-yl-1H-pyridazin-6-one
CID 132587737
6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine
CID 24973249
3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137093046
3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-amine
CID 46167948

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 135957060) is 3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(-c2cccc(Cl)c2)[nH]1.
What is the InChIKey of 3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is JUVRBKARTKAMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13).
What are the key properties of 3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 195.61 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 135957060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).