3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol

C14H27N5O — CID 66270310

IUPAC3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol
SMILESCC(CNCc1cn(CCCO)nn1)CN1CCCC1
InChIInChI=1S/C14H27N5O/c1-13(11-18-5-2-3-6-18)9-15-10-14-12-19(17-16-14)7-4-8-20/h12-13,15,20H,2-11H2,1H3
InChIKeyCAXGNAHNBZGJJG-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.48
Rot. Bonds9

About 3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol

3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 66270310) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol
PubChem CID66270310
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol
SMILESCC(CNCc1cn(CCCO)nn1)CN1CCCC1
InChIInChI=1S/C14H27N5O/c1-13(11-18-5-2-3-6-18)9-15-10-14-12-19(17-16-14)7-4-8-20/h12-13,15,20H,2-11H2,1H3
InChIKeyCAXGNAHNBZGJJG-UHFFFAOYSA-N
XLogP0.48
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol
CID 83143100
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629
2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine
CID 62425058
3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268914
N-[[1-(3-pyrrolidin-1-ylpropyl)triazol-4-yl]methyl]propan-2-amine
CID 66192005
1,1,1-trifluoro-3-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-2-ol
CID 114093114
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268921
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
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
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol (CID 66270310) is 3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol is CC(CNCc1cn(CCCO)nn1)CN1CCCC1.
What is the InChIKey of 3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is CAXGNAHNBZGJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-13(11-18-5-2-3-6-18)9-15-10-14-12-19(17-16-14)7-4-8-20/h12-13,15,20H,2-11H2,1H3.
What are the key properties of 3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 0.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66270310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).