[5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol

C18H21N3O — CID 82203789

IUPAC[5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol
SMILESCCCCc1c(CO)nnn1Cc1cccc2ccccc12
InChIInChI=1S/C18H21N3O/c1-2-3-11-18-17(13-22)19-20-21(18)12-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,22H,2-3,11-13H2,1H3
InChIKeyHLCDHZKUBCLSDI-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.31
Rot. Bonds6

About [5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol

[5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol (PubChem CID 82203789) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is [5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol
PubChem CID82203789
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name[5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol
SMILESCCCCc1c(CO)nnn1Cc1cccc2ccccc12
InChIInChI=1S/C18H21N3O/c1-2-3-11-18-17(13-22)19-20-21(18)12-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,22H,2-3,11-13H2,1H3
InChIKeyHLCDHZKUBCLSDI-UHFFFAOYSA-N
XLogP3.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-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

[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol
CID 94943470
[5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine
CID 82203818
3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 82211464
5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid
CID 82202427
1-butylnaphthalene;ethane
CID 142087052
5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
CID 100766456
[1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol
CID 82203421
[5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 82196453
[5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol
CID 82204977
azane;1-butylnaphthalene;methane
CID 174691035
(5-benzyl-1-butyltriazol-4-yl)methanol
CID 82205364
[5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol
CID 94944971

Frequently Asked Questions

What is the IUPAC name of [5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol (CID 82203789) is [5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol is CCCCc1c(CO)nnn1Cc1cccc2ccccc12.
What is the InChIKey of [5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol?
The InChIKey is HLCDHZKUBCLSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-3-11-18-17(13-22)19-20-21(18)12-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,22H,2-3,11-13H2,1H3.
What are the key properties of [5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol?
[5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol has a molecular weight of 295.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82203789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).