2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol

C13H23N3O — CID 112570348

IUPAC2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCCCn1ncnc1CC(CO)C1CCCC1
InChIInChI=1S/C13H23N3O/c1-2-7-16-13(14-10-15-16)8-12(9-17)11-5-3-4-6-11/h10-12,17H,2-9H2,1H3
InChIKeySNSSFIHGNNUCMO-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.03
Rot. Bonds6

About 2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol

2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 112570348) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID112570348
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCCCn1ncnc1CC(CO)C1CCCC1
InChIInChI=1S/C13H23N3O/c1-2-7-16-13(14-10-15-16)8-12(9-17)11-5-3-4-6-11/h10-12,17H,2-9H2,1H3
InChIKeySNSSFIHGNNUCMO-UHFFFAOYSA-N
XLogP2.03
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole
CID 112570463
1-cyclooctyl-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 80604052
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205
1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 106634605
2-cyclopentyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpropan-1-amine
CID 115926635
1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 115816524
1-(3-bicyclo[3.1.0]hexanyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003165
1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one
CID 103455915
3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 115816529
3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 115816584
1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 80603042
[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105265858

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol (CID 112570348) is 2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol is CCCn1ncnc1CC(CO)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is SNSSFIHGNNUCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-7-16-13(14-10-15-16)8-12(9-17)11-5-3-4-6-11/h10-12,17H,2-9H2,1H3.
What are the key properties of 2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol?
2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 112570348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).