7-(1H-1,2,4-triazol-5-yl)bicyclo[3.3.1]nonan-3-ol

C11H17N3O — CID 155294659

IUPAC7-(1H-1,2,4-triazol-5-yl)bicyclo[3.3.1]nonan-3-ol
SMILESOC1CC2CC(C1)CC(c1ncn[nH]1)C2
InChIInChI=1S/C11H17N3O/c15-10-4-7-1-8(5-10)3-9(2-7)11-12-6-13-14-11/h6-10,15H,1-5H2,(H,12,13,14)
InChIKeyWUALCDVQNPWIHY-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.46
Rot. Bonds1

About 7-(1H-1,2,4-triazol-5-yl)bicyclo[3.3.1]nonan-3-ol

7-(1H-1,2,4-triazol-5-yl)bicyclo[3.3.1]nonan-3-ol (PubChem CID 155294659) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 7-(1H-1,2,4-triazol-5-yl)bicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name7-(1H-1,2,4-triazol-5-yl)bicyclo[3.3.1]nonan-3-ol
PubChem CID155294659
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name7-(1H-1,2,4-triazol-5-yl)bicyclo[3.3.1]nonan-3-ol
SMILESOC1CC2CC(C1)CC(c1ncn[nH]1)C2
InChIInChI=1S/C11H17N3O/c15-10-4-7-1-8(5-10)3-9(2-7)11-12-6-13-14-11/h6-10,15H,1-5H2,(H,12,13,14)
InChIKeyWUALCDVQNPWIHY-UHFFFAOYSA-N
XLogP1.46
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-1,2,4-triazol-5-yl)bicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 7-(1H-1,2,4-triazol-5-yl)bicyclo[3.3.1]nonan-3-ol (CID 155294659) is 7-(1H-1,2,4-triazol-5-yl)bicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 7-(1H-1,2,4-triazol-5-yl)bicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 7-(1H-1,2,4-triazol-5-yl)bicyclo[3.3.1]nonan-3-ol is OC1CC2CC(C1)CC(c1ncn[nH]1)C2.
What is the InChIKey of 7-(1H-1,2,4-triazol-5-yl)bicyclo[3.3.1]nonan-3-ol?
The InChIKey is WUALCDVQNPWIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-10-4-7-1-8(5-10)3-9(2-7)11-12-6-13-14-11/h6-10,15H,1-5H2,(H,12,13,14).
What are the key properties of 7-(1H-1,2,4-triazol-5-yl)bicyclo[3.3.1]nonan-3-ol?
7-(1H-1,2,4-triazol-5-yl)bicyclo[3.3.1]nonan-3-ol has a molecular weight of 207.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-1,2,4-triazol-5-yl)bicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 155294659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).