5-(cyclohexen-1-yl)-1-methyltriazole

C9H13N3 — CID 177241317

IUPAC5-(cyclohexen-1-yl)-1-methyltriazole
SMILESCn1nncc1C1=CCCCC1
InChIInChI=1S/C9H13N3/c1-12-9(7-10-11-12)8-5-3-2-4-6-8/h5,7H,2-4,6H2,1H3
InChIKeyZBEXNBQKCNTEJR-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.77
Rot. Bonds1

About 5-(cyclohexen-1-yl)-1-methyltriazole

5-(cyclohexen-1-yl)-1-methyltriazole (PubChem CID 177241317) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-1-methyltriazole.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-1-methyltriazole
PubChem CID177241317
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5-(cyclohexen-1-yl)-1-methyltriazole
SMILESCn1nncc1C1=CCCCC1
InChIInChI=1S/C9H13N3/c1-12-9(7-10-11-12)8-5-3-2-4-6-8/h5,7H,2-4,6H2,1H3
InChIKeyZBEXNBQKCNTEJR-UHFFFAOYSA-N
XLogP1.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-1-methyltriazole?
The IUPAC name of 5-(cyclohexen-1-yl)-1-methyltriazole (CID 177241317) is 5-(cyclohexen-1-yl)-1-methyltriazole.
What is the SMILES notation for 5-(cyclohexen-1-yl)-1-methyltriazole?
The canonical SMILES for 5-(cyclohexen-1-yl)-1-methyltriazole is Cn1nncc1C1=CCCCC1.
What is the InChIKey of 5-(cyclohexen-1-yl)-1-methyltriazole?
The InChIKey is ZBEXNBQKCNTEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-12-9(7-10-11-12)8-5-3-2-4-6-8/h5,7H,2-4,6H2,1H3.
What are the key properties of 5-(cyclohexen-1-yl)-1-methyltriazole?
5-(cyclohexen-1-yl)-1-methyltriazole has a molecular weight of 163.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-1-methyltriazole is sourced from PubChem (CID 177241317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).