1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol

C12H22N4O — CID 103158278

IUPAC1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol
SMILESOC(CNCCn1ccnn1)CC1CCCC1
InChIInChI=1S/C12H22N4O/c17-12(9-11-3-1-2-4-11)10-13-5-7-16-8-6-14-15-16/h6,8,11-13,17H,1-5,7,9-10H2
InChIKeyRYDYZXNOBQAKNW-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.81
Rot. Bonds7

About 1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol

1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol (PubChem CID 103158278) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol
PubChem CID103158278
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol
SMILESOC(CNCCn1ccnn1)CC1CCCC1
InChIInChI=1S/C12H22N4O/c17-12(9-11-3-1-2-4-11)10-13-5-7-16-8-6-14-15-16/h6,8,11-13,17H,1-5,7,9-10H2
InChIKeyRYDYZXNOBQAKNW-UHFFFAOYSA-N
XLogP0.81
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid
CID 103263516
1-cyclopentyl-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 103157548
1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol
CID 103157604
1-(but-3-enylamino)-3-cyclopentylpropan-2-ol
CID 103158305
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
1-cyclopentyl-3-(3-hydroxypropylamino)propan-2-ol
CID 103157277
1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol
CID 103158404
2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide
CID 103263505
1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 103157099
1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103157779
1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 103157144
2-[(3-cyclopentyl-2-hydroxypropyl)amino]-N-methylacetamide
CID 103157245

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol (CID 103158278) is 1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol is OC(CNCCn1ccnn1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol?
The InChIKey is RYDYZXNOBQAKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c17-12(9-11-3-1-2-4-11)10-13-5-7-16-8-6-14-15-16/h6,8,11-13,17H,1-5,7,9-10H2.
What are the key properties of 1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol?
1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 103158278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).