(1-octyl-1,2,4-triazol-3-yl)methanol

C11H21N3O — CID 156537747

IUPAC(1-octyl-1,2,4-triazol-3-yl)methanol
SMILESCCCCCCCCn1cnc(CO)n1
InChIInChI=1S/C11H21N3O/c1-2-3-4-5-6-7-8-14-10-12-11(9-15)13-14/h10,15H,2-9H2,1H3
InChIKeyVIMOLVCXMZZTHC-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.13
Rot. Bonds8

About (1-octyl-1,2,4-triazol-3-yl)methanol

(1-octyl-1,2,4-triazol-3-yl)methanol (PubChem CID 156537747) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (1-octyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(1-octyl-1,2,4-triazol-3-yl)methanol
PubChem CID156537747
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(1-octyl-1,2,4-triazol-3-yl)methanol
SMILESCCCCCCCCn1cnc(CO)n1
InChIInChI=1S/C11H21N3O/c1-2-3-4-5-6-7-8-14-10-12-11(9-15)13-14/h10,15H,2-9H2,1H3
InChIKeyVIMOLVCXMZZTHC-UHFFFAOYSA-N
XLogP2.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1-ethyl-1H-1,2,4-triazol-5-yl)methanol
CID 11412385
1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol
CID 13624273
4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
1-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 89881889
2-[3-(3-Fluoropropyl)-1,2,4-triazol-1-yl]ethanol
CID 123826455
[2-(3-Fluoropropyl)-1,2,4-triazol-3-yl]methanol
CID 81114047
2-[5-(2-azocan-1-ylethyl)-1H-1,2,4-triazol-1-yl]ethanol
CID 72843462
(1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol
CID 11834352
1-Propyl-3-hydroxymethyl-1,2,4-triazole
CID 18361799
(1-Propyl-1H-1,2,4-triazol-5-YL)methanol
CID 18406849
1-(2-Methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 21641162
2-(3-Tert-butyl-1,2,4-triazol-1-yl)ethanol
CID 21694436

Frequently Asked Questions

What is the IUPAC name of (1-octyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (1-octyl-1,2,4-triazol-3-yl)methanol (CID 156537747) is (1-octyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (1-octyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (1-octyl-1,2,4-triazol-3-yl)methanol is CCCCCCCCn1cnc(CO)n1.
What is the InChIKey of (1-octyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is VIMOLVCXMZZTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-3-4-5-6-7-8-14-10-12-11(9-15)13-14/h10,15H,2-9H2,1H3.
What are the key properties of (1-octyl-1,2,4-triazol-3-yl)methanol?
(1-octyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 211.31 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-octyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 156537747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).