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

C8H6ClN3O — CID 135483812

IUPAC3-(2-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C8H6ClN3O/c9-6-4-2-1-3-5(6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChIKeyNPTJCUBAMHRVCK-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.42
Rot. Bonds1

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

3-(2-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 135483812) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID135483812
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name3-(2-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C8H6ClN3O/c9-6-4-2-1-3-5(6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChIKeyNPTJCUBAMHRVCK-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-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 135418902
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-4-methyl-
CID 3087749
Mdl-27192
CID 35793
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-chlorophenyl)-4-methyl-
CID 3088269
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-chlorophenyl)-2,4-dimethyl-
CID 3088270
3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-ol
CID 135591017
4-amino-3-phenyl-1H-1,2,4-triazol-5-one
CID 384494
4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
CID 689058
3-(p-Tolyl)-1H-1,2,4-triazol-5(4H)-one
CID 135463862
5-(4-chlorophenyl)-2-methyl-4H-1,2,4-triazol-3-one
CID 135448462
4-[(E)-(2-chlorophenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one
CID 9556310
3-(4-Fluorophenyl)-1H-1,2,4-triazol-5(4H)-one
CID 135519035

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(2-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 135483812) is 3-(2-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(2-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(-c2ccccc2Cl)[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is NPTJCUBAMHRVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-6-4-2-1-3-5(6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13).
What are the key properties of 3-(2-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(2-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-(2-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 135483812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).