1-[3-(3-chlorophenyl)triazol-4-yl]ethanol

C10H10ClN3O — CID 117167214

IUPAC1-[3-(3-chlorophenyl)triazol-4-yl]ethanol
SMILESCC(O)c1cnnn1-c1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3O/c1-7(15)10-6-12-13-14(10)9-4-2-3-8(11)5-9/h2-7,15H,1H3
InChIKeyNILPEUWTNKUCGU-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.97
Rot. Bonds2

About 1-[3-(3-chlorophenyl)triazol-4-yl]ethanol

1-[3-(3-chlorophenyl)triazol-4-yl]ethanol (PubChem CID 117167214) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)triazol-4-yl]ethanol
PubChem CID117167214
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name1-[3-(3-chlorophenyl)triazol-4-yl]ethanol
SMILESCC(O)c1cnnn1-c1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3O/c1-7(15)10-6-12-13-14(10)9-4-2-3-8(11)5-9/h2-7,15H,1H3
InChIKeyNILPEUWTNKUCGU-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole
CID 174935366
2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167260
(3-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 114684801
1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine
CID 117167242
(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684777
2-methylsulfonyl-1-(3-phenyltriazol-4-yl)propan-1-ol
CID 115835918
5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole
CID 134105821
(3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114685520
3-[3-(3-chlorophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167278
1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine
CID 117167252
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol
CID 66437016
2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686365

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)triazol-4-yl]ethanol?
The IUPAC name of 1-[3-(3-chlorophenyl)triazol-4-yl]ethanol (CID 117167214) is 1-[3-(3-chlorophenyl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[3-(3-chlorophenyl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[3-(3-chlorophenyl)triazol-4-yl]ethanol is CC(O)c1cnnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-[3-(3-chlorophenyl)triazol-4-yl]ethanol?
The InChIKey is NILPEUWTNKUCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-7(15)10-6-12-13-14(10)9-4-2-3-8(11)5-9/h2-7,15H,1H3.
What are the key properties of 1-[3-(3-chlorophenyl)triazol-4-yl]ethanol?
1-[3-(3-chlorophenyl)triazol-4-yl]ethanol has a molecular weight of 223.66 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)triazol-4-yl]ethanol is sourced from PubChem (CID 117167214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).