3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol

C9H15N3O — CID 130530013

IUPAC3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
SMILESCCn1ncnc1C1CCC(O)C1
InChIInChI=1S/C9H15N3O/c1-2-12-9(10-6-11-12)7-3-4-8(13)5-7/h6-8,13H,2-5H2,1H3
InChIKeyUSAGOVDYELIJEO-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.93
Rot. Bonds2

About 3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol

3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol (PubChem CID 130530013) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
PubChem CID130530013
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
SMILESCCn1ncnc1C1CCC(O)C1
InChIInChI=1S/C9H15N3O/c1-2-12-9(10-6-11-12)7-3-4-8(13)5-7/h6-8,13H,2-5H2,1H3
InChIKeyUSAGOVDYELIJEO-UHFFFAOYSA-N
XLogP0.93
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclobutyl-1-ethyl-1,2,4-triazole
CID 101129673
(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552936
(2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552945
3-(2-ethyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-ol
CID 130530021
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol
CID 114502580
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 112680629
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide
CID 124753495
1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-difluoroethanone
CID 130529584
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 114095941
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine
CID 82726489
3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol
CID 164644976

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
The IUPAC name of 3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol (CID 130530013) is 3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
The canonical SMILES for 3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol is CCn1ncnc1C1CCC(O)C1.
What is the InChIKey of 3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
The InChIKey is USAGOVDYELIJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-12-9(10-6-11-12)7-3-4-8(13)5-7/h6-8,13H,2-5H2,1H3.
What are the key properties of 3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol is sourced from PubChem (CID 130530013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).