2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol

C12H21N3O — CID 115834151

IUPAC2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(O)CC1CCCC1
InChIInChI=1S/C12H21N3O/c1-2-7-15-11(9-13-14-15)12(16)8-10-5-3-4-6-10/h9-10,12,16H,2-8H2,1H3
InChIKeyRXONLYVEDCJYOC-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.30
Rot. Bonds5

About 2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol

2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol (PubChem CID 115834151) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
PubChem CID115834151
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(O)CC1CCCC1
InChIInChI=1S/C12H21N3O/c1-2-7-15-11(9-13-14-15)12(16)8-10-5-3-4-6-10/h9-10,12,16H,2-8H2,1H3
InChIKeyRXONLYVEDCJYOC-UHFFFAOYSA-N
XLogP2.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940
2-cyclopentyl-1-(3-propylimidazol-4-yl)ethanol
CID 66129443
(3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105127137
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
[2-cyclopropyl-1-(3-propyltriazol-4-yl)propyl]hydrazine
CID 105335544
6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol
CID 115834042
3-cyclopentyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038705
2-methoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686354
2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038639
2-ethoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686533
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200
[(4-propylcyclohexyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105232238

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol?
The IUPAC name of 2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol (CID 115834151) is 2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol?
The canonical SMILES for 2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol is CCCn1nncc1C(O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol?
The InChIKey is RXONLYVEDCJYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-7-15-11(9-13-14-15)12(16)8-10-5-3-4-6-10/h9-10,12,16H,2-8H2,1H3.
What are the key properties of 2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol?
2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol has a molecular weight of 223.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol is sourced from PubChem (CID 115834151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).