2-(1-methyltriazol-4-yl)cyclopentan-1-ol

C8H13N3O — CID 130603027

IUPAC2-(1-methyltriazol-4-yl)cyclopentan-1-ol
SMILESCn1cc(C2CCCC2O)nn1
InChIInChI=1S/C8H13N3O/c1-11-5-7(9-10-11)6-3-2-4-8(6)12/h5-6,8,12H,2-4H2,1H3
InChIKeyDFDJFRMTCUQULZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.44
Rot. Bonds1

About 2-(1-methyltriazol-4-yl)cyclopentan-1-ol

2-(1-methyltriazol-4-yl)cyclopentan-1-ol (PubChem CID 130603027) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)cyclopentan-1-ol
PubChem CID130603027
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(1-methyltriazol-4-yl)cyclopentan-1-ol
SMILESCn1cc(C2CCCC2O)nn1
InChIInChI=1S/C8H13N3O/c1-11-5-7(9-10-11)6-3-2-4-8(6)12/h5-6,8,12H,2-4H2,1H3
InChIKeyDFDJFRMTCUQULZ-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)cyclopentan-1-ol?
The IUPAC name of 2-(1-methyltriazol-4-yl)cyclopentan-1-ol (CID 130603027) is 2-(1-methyltriazol-4-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(1-methyltriazol-4-yl)cyclopentan-1-ol is Cn1cc(C2CCCC2O)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)cyclopentan-1-ol?
The InChIKey is DFDJFRMTCUQULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-5-7(9-10-11)6-3-2-4-8(6)12/h5-6,8,12H,2-4H2,1H3.
What are the key properties of 2-(1-methyltriazol-4-yl)cyclopentan-1-ol?
2-(1-methyltriazol-4-yl)cyclopentan-1-ol has a molecular weight of 167.21 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)cyclopentan-1-ol is sourced from PubChem (CID 130603027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).