3-(5-cyclobutyltriazol-1-yl)propan-1-ol

C9H15N3O — CID 115015905

IUPAC3-(5-cyclobutyltriazol-1-yl)propan-1-ol
SMILESOCCCn1nncc1C1CCC1
InChIInChI=1S/C9H15N3O/c13-6-2-5-12-9(7-10-11-12)8-3-1-4-8/h7-8,13H,1-6H2
InChIKeyZIKRKXKGFQFGDK-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.93
Rot. Bonds4

About 3-(5-cyclobutyltriazol-1-yl)propan-1-ol

3-(5-cyclobutyltriazol-1-yl)propan-1-ol (PubChem CID 115015905) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(5-cyclobutyltriazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-cyclobutyltriazol-1-yl)propan-1-ol
PubChem CID115015905
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(5-cyclobutyltriazol-1-yl)propan-1-ol
SMILESOCCCn1nncc1C1CCC1
InChIInChI=1S/C9H15N3O/c13-6-2-5-12-9(7-10-11-12)8-3-1-4-8/h7-8,13H,1-6H2
InChIKeyZIKRKXKGFQFGDK-UHFFFAOYSA-N
XLogP0.93
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclobutyltriazol-1-yl)propan-1-ol?
The IUPAC name of 3-(5-cyclobutyltriazol-1-yl)propan-1-ol (CID 115015905) is 3-(5-cyclobutyltriazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(5-cyclobutyltriazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(5-cyclobutyltriazol-1-yl)propan-1-ol is OCCCn1nncc1C1CCC1.
What is the InChIKey of 3-(5-cyclobutyltriazol-1-yl)propan-1-ol?
The InChIKey is ZIKRKXKGFQFGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c13-6-2-5-12-9(7-10-11-12)8-3-1-4-8/h7-8,13H,1-6H2.
What are the key properties of 3-(5-cyclobutyltriazol-1-yl)propan-1-ol?
3-(5-cyclobutyltriazol-1-yl)propan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclobutyltriazol-1-yl)propan-1-ol is sourced from PubChem (CID 115015905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).