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

C8H5Cl2N3O — CID 136888745

IUPAC3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2cc(Cl)cc(Cl)c2)[nH]1
InChIInChI=1S/C8H5Cl2N3O/c9-5-1-4(2-6(10)3-5)7-11-8(14)13-12-7/h1-3H,(H2,11,12,13,14)
InChIKeyICRUFVCCWMCDNF-UHFFFAOYSA-N
MW230.05 g/mol
LogP2.07
Rot. Bonds1

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

3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136888745) has the molecular formula C8H5Cl2N3O and a molecular weight of 230.05 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136888745
Molecular FormulaC8H5Cl2N3O
Molecular Weight230.05 g/mol
Exact Mass228.98
IUPAC Name3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2cc(Cl)cc(Cl)c2)[nH]1
InChIInChI=1S/C8H5Cl2N3O/c9-5-1-4(2-6(10)3-5)7-11-8(14)13-12-7/h1-3H,(H2,11,12,13,14)
InChIKeyICRUFVCCWMCDNF-UHFFFAOYSA-N
XLogP2.07
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135957060
8-(3,5-dichlorophenyl)-3,7-dihydropurine-2,6-dione
CID 115600453
4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)benzaldehyde
CID 136966049
4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 135975410
3-(4-chloro-2-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136873215
3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135421750
3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137093046
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
4-(3,5-dichlorophenyl)-2H-phthalazin-1-one
CID 2824608
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135818619
3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135624303

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 136888745) is 3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(-c2cc(Cl)cc(Cl)c2)[nH]1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is ICRUFVCCWMCDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3O/c9-5-1-4(2-6(10)3-5)7-11-8(14)13-12-7/h1-3H,(H2,11,12,13,14).
What are the key properties of 3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 230.05 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136888745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).