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

C11H20N4O — CID 66268921

IUPAC3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNCC2CCC2)nn1
InChIInChI=1S/C11H20N4O/c16-6-2-5-15-9-11(13-14-15)8-12-7-10-3-1-4-10/h9-10,12,16H,1-8H2
InChIKeyLMQZIGHZFGYWPH-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.55
Rot. Bonds7

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

3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 66268921) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID66268921
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNCC2CCC2)nn1
InChIInChI=1S/C11H20N4O/c16-6-2-5-15-9-11(13-14-15)8-12-7-10-3-1-4-10/h9-10,12,16H,1-8H2
InChIKeyLMQZIGHZFGYWPH-UHFFFAOYSA-N
XLogP0.55
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol
CID 66270873
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
3-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]triazol-1-yl]propan-1-ol
CID 105415204
2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol
CID 66269246
3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol
CID 82843982
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629
methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
CID 66268145
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
3-[4-[[(4-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269103
3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268914

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol (CID 66268921) is 3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol is OCCCn1cc(CNCC2CCC2)nn1.
What is the InChIKey of 3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is LMQZIGHZFGYWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c16-6-2-5-15-9-11(13-14-15)8-12-7-10-3-1-4-10/h9-10,12,16H,1-8H2.
What are the key properties of 3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66268921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).