3-[[3-(triazol-1-yl)propylamino]methyl]pentan-3-ol

C11H22N4O — CID 114493587

IUPAC3-[[3-(triazol-1-yl)propylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCCn1ccnn1
InChIInChI=1S/C11H22N4O/c1-3-11(16,4-2)10-12-6-5-8-15-9-7-13-14-15/h7,9,12,16H,3-6,8,10H2,1-2H3
InChIKeyREMVITKEFOGRCW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds8

About 3-[[3-(triazol-1-yl)propylamino]methyl]pentan-3-ol

3-[[3-(triazol-1-yl)propylamino]methyl]pentan-3-ol (PubChem CID 114493587) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[[3-(triazol-1-yl)propylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[3-(triazol-1-yl)propylamino]methyl]pentan-3-ol
PubChem CID114493587
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name3-[[3-(triazol-1-yl)propylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCCn1ccnn1
InChIInChI=1S/C11H22N4O/c1-3-11(16,4-2)10-12-6-5-8-15-9-7-13-14-15/h7,9,12,16H,3-6,8,10H2,1-2H3
InChIKeyREMVITKEFOGRCW-UHFFFAOYSA-N
XLogP0.81
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.81
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

3-[(1H-1,2,3-triazol-1-yl)methyl]piperidin-3-ol dihydrochloride
CID 121552529
3-[(1H-1,2,3-triazol-1-yl)methyl]piperidin-3-ol
CID 121552530
3-[(1H-1,2,3-triazol-1-yl)methyl]pyrrolidin-3-ol
CID 122156743
2-Methyl-1-(triazol-1-yl)butan-2-ol
CID 89501189
3-(Triazol-1-ylmethyl)azetidin-3-ol
CID 177932696
N-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide
CID 65114113
N-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide
CID 65114451
N-(2-hydroxy-2,4-dimethylpentyl)-3-(triazol-1-yl)propanamide
CID 66179471
N-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide
CID 79833738
N-(2-ethyl-2-hydroxybutyl)-2-(triazol-1-yl)acetamide
CID 79833954
1-Amino-2-methyl-3-(triazol-1-yl)propan-2-ol
CID 84650384
3-[[4-(Triazol-1-yl)piperidin-1-yl]methyl]pentan-3-ol
CID 86783503

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(triazol-1-yl)propylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[3-(triazol-1-yl)propylamino]methyl]pentan-3-ol (CID 114493587) is 3-[[3-(triazol-1-yl)propylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[3-(triazol-1-yl)propylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[3-(triazol-1-yl)propylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCCCn1ccnn1.
What is the InChIKey of 3-[[3-(triazol-1-yl)propylamino]methyl]pentan-3-ol?
The InChIKey is REMVITKEFOGRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-3-11(16,4-2)10-12-6-5-8-15-9-7-13-14-15/h7,9,12,16H,3-6,8,10H2,1-2H3.
What are the key properties of 3-[[3-(triazol-1-yl)propylamino]methyl]pentan-3-ol?
3-[[3-(triazol-1-yl)propylamino]methyl]pentan-3-ol has a molecular weight of 226.32 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(triazol-1-yl)propylamino]methyl]pentan-3-ol is sourced from PubChem (CID 114493587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).