1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol

C12H22N4O — CID 103161030

IUPAC1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol
SMILESNCCc1cn(CC(O)CC2CCCC2)nn1
InChIInChI=1S/C12H22N4O/c13-6-5-11-8-16(15-14-11)9-12(17)7-10-3-1-2-4-10/h8,10,12,17H,1-7,9,13H2
InChIKeyIJOVNVLHLAZZDS-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.72
Rot. Bonds6

About 1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol

1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol (PubChem CID 103161030) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol
PubChem CID103161030
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol
SMILESNCCc1cn(CC(O)CC2CCCC2)nn1
InChIInChI=1S/C12H22N4O/c13-6-5-11-8-16(15-14-11)9-12(17)7-10-3-1-2-4-10/h8,10,12,17H,1-7,9,13H2
InChIKeyIJOVNVLHLAZZDS-UHFFFAOYSA-N
XLogP0.72
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine
CID 116642244
1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid
CID 103161001
2-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]triazol-4-yl]ethanamine
CID 116641837
2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol
CID 116642075
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine
CID 116642161
3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol
CID 82843982
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361
2-(1-cyclopropyltriazol-4-yl)ethanamine
CID 84649663
2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine
CID 116642242
3-[4-(3-aminopropyl)triazol-1-yl]-2-methylpropanamide
CID 106221461
4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine
CID 104539266
4-(2-bromoethyl)-1-(cyclobutylmethyl)triazole
CID 65461455

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol (CID 103161030) is 1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol is NCCc1cn(CC(O)CC2CCCC2)nn1.
What is the InChIKey of 1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol?
The InChIKey is IJOVNVLHLAZZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c13-6-5-11-8-16(15-14-11)9-12(17)7-10-3-1-2-4-10/h8,10,12,17H,1-7,9,13H2.
What are the key properties of 1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol?
1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103161030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).