6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol

C9H13N3O — CID 130521201

IUPAC6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol
SMILESCn1ncc(C2(O)C3CCCC32)n1
InChIInChI=1S/C9H13N3O/c1-12-10-5-8(11-12)9(13)6-3-2-4-7(6)9/h5-7,13H,2-4H2,1H3
InChIKeyVAUWBHQWZXWTCU-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.43
Rot. Bonds1

About 6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol

6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol (PubChem CID 130521201) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol
PubChem CID130521201
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol
SMILESCn1ncc(C2(O)C3CCCC32)n1
InChIInChI=1S/C9H13N3O/c1-12-10-5-8(11-12)9(13)6-3-2-4-7(6)9/h5-7,13H,2-4H2,1H3
InChIKeyVAUWBHQWZXWTCU-UHFFFAOYSA-N
XLogP0.43
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol?
The IUPAC name of 6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol (CID 130521201) is 6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for 6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for 6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol is Cn1ncc(C2(O)C3CCCC32)n1.
What is the InChIKey of 6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol?
The InChIKey is VAUWBHQWZXWTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-12-10-5-8(11-12)9(13)6-3-2-4-7(6)9/h5-7,13H,2-4H2,1H3.
What are the key properties of 6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol?
6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol has a molecular weight of 179.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 130521201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).