2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol

C14H10ClN3O — CID 918288

IUPAC2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1n[nH]c(-c2ccccc2Cl)n1
InChIInChI=1S/C14H10ClN3O/c15-11-7-3-1-5-9(11)13-16-14(18-17-13)10-6-2-4-8-12(10)19/h1-8,19H,(H,16,17,18)
InChIKeySATHQHDSZBZVFR-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.50
Rot. Bonds2

About 2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol

2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 918288) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol
PubChem CID918288
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1n[nH]c(-c2ccccc2Cl)n1
InChIInChI=1S/C14H10ClN3O/c15-11-7-3-1-5-9(11)13-16-14(18-17-13)10-6-2-4-8-12(10)19/h1-8,19H,(H,16,17,18)
InChIKeySATHQHDSZBZVFR-UHFFFAOYSA-N
XLogP3.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol
CID 130429150
(6E)-6-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one
CID 389407
2-(5-Phenyl-1H-[1,2,4]triazol-3-yl)-phenol
CID 677535
4-chloro-2-(1H-[1,2,4]triazol-3-yl)-phenol
CID 136163388
2-(4H-1,2,4-triazol-3-yl)phenol
CID 136008534
4-{[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl}phenol
CID 2850610
2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol
CID 164627196
{4-[(E)-2-(2-chlorophenyl)ethenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl}cyanamide
CID 135644849
4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 135449099
2-[4-Amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol
CID 136502357
4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 155527131
4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol
CID 155554294

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol (CID 918288) is 2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol is Oc1ccccc1-c1n[nH]c(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is SATHQHDSZBZVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-11-7-3-1-5-9(11)13-16-14(18-17-13)10-6-2-4-8-12(10)19/h1-8,19H,(H,16,17,18).
What are the key properties of 2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol?
2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 271.71 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 918288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).