3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol

C12H24N4O — CID 66270242

IUPAC3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCCCCCCNCc1cn(CCCO)nn1
InChIInChI=1S/C12H24N4O/c1-2-3-4-5-7-13-10-12-11-16(15-14-12)8-6-9-17/h11,13,17H,2-10H2,1H3
InChIKeyXYXMZUCXRZOBEG-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.33
Rot. Bonds10

About 3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol

3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 66270242) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID66270242
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCCCCCCNCc1cn(CCCO)nn1
InChIInChI=1S/C12H24N4O/c1-2-3-4-5-7-13-10-12-11-16(15-14-12)8-6-9-17/h11,13,17H,2-10H2,1H3
InChIKeyXYXMZUCXRZOBEG-UHFFFAOYSA-N
XLogP1.33
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine
CID 66192486
3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268914
3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268933
2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol
CID 66270359
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810
2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
CID 66268074
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol (CID 66270242) is 3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol is CCCCCCNCc1cn(CCCO)nn1.
What is the InChIKey of 3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is XYXMZUCXRZOBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-2-3-4-5-7-13-10-12-11-16(15-14-12)8-6-9-17/h11,13,17H,2-10H2,1H3.
What are the key properties of 3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 1.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66270242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).