1-(1-phenyltriazol-4-yl)ethanol

C10H11N3O — CID 19880800

IUPAC1-(1-phenyltriazol-4-yl)ethanol
SMILESCC(O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C10H11N3O/c1-8(14)10-7-13(12-11-10)9-5-3-2-4-6-9/h2-8,14H,1H3
InChIKeyFQVMGHGOWXLPQW-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.32
Rot. Bonds2

About 1-(1-phenyltriazol-4-yl)ethanol

1-(1-phenyltriazol-4-yl)ethanol (PubChem CID 19880800) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-(1-phenyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-phenyltriazol-4-yl)ethanol
PubChem CID19880800
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1-(1-phenyltriazol-4-yl)ethanol
SMILESCC(O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C10H11N3O/c1-8(14)10-7-13(12-11-10)9-5-3-2-4-6-9/h2-8,14H,1H3
InChIKeyFQVMGHGOWXLPQW-UHFFFAOYSA-N
XLogP1.32
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 2763878
(2-phenyl-2H-1,2,3-triazol-4-yl)methanol
CID 707096
(1-benzyl-1H-1,2,3-triazol-4-yl)methanol
CID 11651290
(1-phenyl-1H-1,2,3-triazol-4-yl)methanol
CID 708707
4-[4-(Hydroxymethyl)triazol-1-yl]benzenesulfonamide
CID 16729004
(1-(2-chlorophenyl)-1H-1,2,3-triazol-4-yl)methanol
CID 53474091
[1-(2,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 62401068
2-(1-phenyl-1H-1,2,3-triazol-4-yl)propan-2-ol
CID 71594942
[1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 62399389
(1-(2-methylphenyl)-1H-1,2,3-triazol-4-yl)methanol
CID 53474093
1-(1-benzyl-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 71671583
1-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176207

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyltriazol-4-yl)ethanol?
The IUPAC name of 1-(1-phenyltriazol-4-yl)ethanol (CID 19880800) is 1-(1-phenyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(1-phenyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(1-phenyltriazol-4-yl)ethanol is CC(O)c1cn(-c2ccccc2)nn1.
What is the InChIKey of 1-(1-phenyltriazol-4-yl)ethanol?
The InChIKey is FQVMGHGOWXLPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8(14)10-7-13(12-11-10)9-5-3-2-4-6-9/h2-8,14H,1H3.
What are the key properties of 1-(1-phenyltriazol-4-yl)ethanol?
1-(1-phenyltriazol-4-yl)ethanol has a molecular weight of 189.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyltriazol-4-yl)ethanol is sourced from PubChem (CID 19880800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).