[1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol

C11H13N3O2 — CID 562532

IUPAC[1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1nc(CO)n(Cc2ccccc2)n1
InChIInChI=1S/C11H13N3O2/c15-7-10-12-11(8-16)14(13-10)6-9-4-2-1-3-5-9/h1-5,15-16H,6-8H2
InChIKeyJBPPBQNBQDIYNX-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.31
Rot. Bonds4

About [1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol

[1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 562532) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is [1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID562532
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name[1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1nc(CO)n(Cc2ccccc2)n1
InChIInChI=1S/C11H13N3O2/c15-7-10-12-11(8-16)14(13-10)6-9-4-2-1-3-5-9/h1-5,15-16H,6-8H2
InChIKeyJBPPBQNBQDIYNX-UHFFFAOYSA-N
XLogP0.31
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-benzyl-5-tert-butyl-1,2,4-triazol-3-yl)acetic acid
CID 54775576
1-benzyl-3,5-dibromo-1,2,4-triazole
CID 1475046
2-[4-[[5-but-2-enyl-3-(2-phenylethyl)-1,2,4-triazol-1-yl]methyl]phenyl]benzoic acid
CID 54466259
[3-[4-[[5-butyl-3-(2-phenylethyl)-1,2,4-triazol-1-yl]methyl]phenyl]-2-pyridinyl] hydrogen carbonate
CID 67751005
[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
CID 164664654
3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one
CID 131937326
[1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 43333641
[4-(2-benzylindazol-3-yl)phenyl]methanol
CID 23120781
3-[3-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]prop-2-enoic acid
CID 77099040
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
(1-benzyl-6-chlorobenzimidazol-2-yl)methanol
CID 46311001
(1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol
CID 43333639

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol (CID 562532) is [1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol is OCc1nc(CO)n(Cc2ccccc2)n1.
What is the InChIKey of [1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is JBPPBQNBQDIYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-7-10-12-11(8-16)14(13-10)6-9-4-2-1-3-5-9/h1-5,15-16H,6-8H2.
What are the key properties of [1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol?
[1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 219.24 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 562532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).