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

C14H28N6O — CID 66268914

IUPAC3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
SMILESCN1CCN(CCCNCc2cn(CCCO)nn2)CC1
InChIInChI=1S/C14H28N6O/c1-18-7-9-19(10-8-18)5-2-4-15-12-14-13-20(17-16-14)6-3-11-21/h13,15,21H,2-12H2,1H3
InChIKeyWYLGUWVVDDMULY-UHFFFAOYSA-N
MW296.42 g/mol
LogP-0.61
Rot. Bonds9

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

3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 66268914) has the molecular formula C14H28N6O and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
PubChem CID66268914
Molecular FormulaC14H28N6O
Molecular Weight296.42 g/mol
Exact Mass296.23
IUPAC Name3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
SMILESCN1CCN(CCCNCc2cn(CCCO)nn2)CC1
InChIInChI=1S/C14H28N6O/c1-18-7-9-19(10-8-18)5-2-4-15-12-14-13-20(17-16-14)6-3-11-21/h13,15,21H,2-12H2,1H3
InChIKeyWYLGUWVVDDMULY-UHFFFAOYSA-N
XLogP-0.61
TPSA69.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269517
3-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]triazol-1-yl]propan-1-ol
CID 105415204
3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol
CID 66270310
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810
3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268921
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol
CID 66270873
methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
CID 66268145

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol (CID 66268914) is 3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol is CN1CCN(CCCNCc2cn(CCCO)nn2)CC1.
What is the InChIKey of 3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is WYLGUWVVDDMULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O/c1-18-7-9-19(10-8-18)5-2-4-15-12-14-13-20(17-16-14)6-3-11-21/h13,15,21H,2-12H2,1H3.
What are the key properties of 3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 296.42 g/mol, XLogP of -0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66268914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).