[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol

C10H10ClN3O — CID 75480980

IUPAC[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3O/c1-14-9(6-15)12-13-10(14)7-2-4-8(11)5-3-7/h2-5,15H,6H2,1H3
InChIKeyVENRRBGYZSHJSH-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.63
Rot. Bonds2

About [5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol

[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 75480980) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID75480980
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3O/c1-14-9(6-15)12-13-10(14)7-2-4-8(11)5-3-7/h2-5,15H,6H2,1H3
InChIKeyVENRRBGYZSHJSH-UHFFFAOYSA-N
XLogP1.63
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chlorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole
CID 3044469
3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 1478277
3,5-Bis(2-chlorophenyl)-4-methyl-1,2,4-triazole
CID 11659479
4H-1,2,4-Triazole, 3-(4-chlorophenyl)-4-ethyl-5-(methylthio)-
CID 208016
1H-1,2,4-Triazole, 1-acetyl-3-(p-chlorophenyl)-5-methyl-
CID 3050487
3-(4-Chlorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 1487852
2-[5-(2,4-Dichloro-phenyl)-3-dipropylamino-[1,2,4]triazol-1-yl]-ethanol
CID 44337106
3,5-Bis(2,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 44448313
3-(4-Chlorophenyl)-5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 44448673
3-(2,4-Dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazole
CID 44448674
3-(2-Chlorophenyl)-4-methyl-5-phenyl-1,2,4-triazole
CID 44448687
(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)methanol
CID 11528485

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol (CID 75480980) is [5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is VENRRBGYZSHJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-14-9(6-15)12-13-10(14)7-2-4-8(11)5-3-7/h2-5,15H,6H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 223.66 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 75480980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).