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

C8H13N3O — CID 83385158

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
SMILESCn1cnnc1C1(O)CCCC1
InChIInChI=1S/C8H13N3O/c1-11-6-9-10-7(11)8(12)4-2-3-5-8/h6,12H,2-5H2,1H3
InChIKeyOLMVOINFARZXAK-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.58
Rot. Bonds1

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

1-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol (PubChem CID 83385158) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
PubChem CID83385158
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
SMILESCn1cnnc1C1(O)CCCC1
InChIInChI=1S/C8H13N3O/c1-11-6-9-10-7(11)8(12)4-2-3-5-8/h6,12H,2-5H2,1H3
InChIKeyOLMVOINFARZXAK-UHFFFAOYSA-N
XLogP0.58
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol (CID 83385158) is 1-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol is Cn1cnnc1C1(O)CCCC1.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
The InChIKey is OLMVOINFARZXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-6-9-10-7(11)8(12)4-2-3-5-8/h6,12H,2-5H2,1H3.
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
1-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol has a molecular weight of 167.21 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol is sourced from PubChem (CID 83385158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).