3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol

C11H12ClN3O — CID 56718171

IUPAC3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol
SMILESOCCCc1nncn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O/c12-9-3-5-10(6-4-9)15-8-13-14-11(15)2-1-7-16/h3-6,8,16H,1-2,7H2
InChIKeyPYRLZCLOAZMQOJ-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.85
Rot. Bonds4

About 3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol

3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol (PubChem CID 56718171) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol
PubChem CID56718171
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol
SMILESOCCCc1nncn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O/c12-9-3-5-10(6-4-9)15-8-13-14-11(15)2-1-7-16/h3-6,8,16H,1-2,7H2
InChIKeyPYRLZCLOAZMQOJ-UHFFFAOYSA-N
XLogP1.85
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82487209
3-bromo-4-(4-chlorophenyl)-1,2,4-triazole
CID 172992633
5-(4-phenyl-1,2,4-triazol-3-yl)pentanoic acid
CID 62711798
4-(4-methoxyphenyl)-3-tridecyl-1,2,4-triazole
CID 54071497
2-[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 56706277
[4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol
CID 107617996
4-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]-N,N-diethylaniline
CID 98016995
4-(4-chlorophenyl)-3-methylsulfanyl-1,2,4-triazole
CID 12615419
4-(4-chlorophenyl)-N'-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111066058
4-(3-ethyl-1,2,4-triazol-4-yl)benzoic acid
CID 82512656
2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol
CID 59127390
3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol
CID 84672362

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol?
The IUPAC name of 3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol (CID 56718171) is 3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol is OCCCc1nncn1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol?
The InChIKey is PYRLZCLOAZMQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-9-3-5-10(6-4-9)15-8-13-14-11(15)2-1-7-16/h3-6,8,16H,1-2,7H2.
What are the key properties of 3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol?
3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol has a molecular weight of 237.69 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol is sourced from PubChem (CID 56718171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).