2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol

C11H21N5O — CID 66269246

IUPAC2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol
SMILESCN1CCC(CNCc2cn(CCO)nn2)C1
InChIInChI=1S/C11H21N5O/c1-15-3-2-10(8-15)6-12-7-11-9-16(4-5-17)14-13-11/h9-10,12,17H,2-8H2,1H3
InChIKeyFFRCPRIJSFVMKO-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.69
Rot. Bonds6

About 2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol

2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol (PubChem CID 66269246) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol
PubChem CID66269246
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol
SMILESCN1CCC(CNCc2cn(CCO)nn2)C1
InChIInChI=1S/C11H21N5O/c1-15-3-2-10(8-15)6-12-7-11-9-16(4-5-17)14-13-11/h9-10,12,17H,2-8H2,1H3
InChIKeyFFRCPRIJSFVMKO-UHFFFAOYSA-N
XLogP-0.69
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268921
2-[4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]triazol-1-yl]ethanol
CID 66268448
2-[4-[(2-methylsulfanylethylamino)methyl]triazol-1-yl]ethanol
CID 66270211
2-[4-[(prop-2-ynylamino)methyl]triazol-1-yl]ethanol
CID 66270343
4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol
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N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
CID 66194675
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
CID 66268121
3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol
CID 82843982
N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62427490
2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64830590
2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol
CID 66269974
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one
CID 106253571

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol (CID 66269246) is 2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol is CN1CCC(CNCc2cn(CCO)nn2)C1.
What is the InChIKey of 2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol?
The InChIKey is FFRCPRIJSFVMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-15-3-2-10(8-15)6-12-7-11-9-16(4-5-17)14-13-11/h9-10,12,17H,2-8H2,1H3.
What are the key properties of 2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol?
2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol has a molecular weight of 239.32 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66269246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).