3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol

C13H26N4O — CID 83143100

IUPAC3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCC(CNCc1cn(CCCO)nn1)C(C)(C)C
InChIInChI=1S/C13H26N4O/c1-11(13(2,3)4)8-14-9-12-10-17(16-15-12)6-5-7-18/h10-11,14,18H,5-9H2,1-4H3
InChIKeyHZVUWQNGMHITMA-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.43
Rot. Bonds7

About 3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol

3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 83143100) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID83143100
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCC(CNCc1cn(CCCO)nn1)C(C)(C)C
InChIInChI=1S/C13H26N4O/c1-11(13(2,3)4)8-14-9-12-10-17(16-15-12)6-5-7-18/h10-11,14,18H,5-9H2,1-4H3
InChIKeyHZVUWQNGMHITMA-UHFFFAOYSA-N
XLogP1.43
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1-trifluoro-3-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-2-ol
CID 114093114
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629
3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol
CID 66270310
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 66268917
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol
CID 114099502
6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
CID 107707372

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol (CID 83143100) is 3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol is CC(CNCc1cn(CCCO)nn1)C(C)(C)C.
What is the InChIKey of 3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is HZVUWQNGMHITMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-11(13(2,3)4)8-14-9-12-10-17(16-15-12)6-5-7-18/h10-11,14,18H,5-9H2,1-4H3.
What are the key properties of 3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 254.38 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 83143100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).