5-cyclohexyl-1-methyl-1,2,4-triazole

C9H15N3 — CID 15496060

IUPAC5-cyclohexyl-1-methyl-1,2,4-triazole
SMILESCn1ncnc1C1CCCCC1
InChIInChI=1S/C9H15N3/c1-12-9(10-7-11-12)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyJHIPTYDYYYBVAH-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.86
Rot. Bonds1

About 5-cyclohexyl-1-methyl-1,2,4-triazole

5-cyclohexyl-1-methyl-1,2,4-triazole (PubChem CID 15496060) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-cyclohexyl-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclohexyl-1-methyl-1,2,4-triazole
PubChem CID15496060
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-cyclohexyl-1-methyl-1,2,4-triazole
SMILESCn1ncnc1C1CCCCC1
InChIInChI=1S/C9H15N3/c1-12-9(10-7-11-12)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyJHIPTYDYYYBVAH-UHFFFAOYSA-N
XLogP1.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-methyl-1,2,4-triazole?
The IUPAC name of 5-cyclohexyl-1-methyl-1,2,4-triazole (CID 15496060) is 5-cyclohexyl-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-cyclohexyl-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-cyclohexyl-1-methyl-1,2,4-triazole is Cn1ncnc1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-methyl-1,2,4-triazole?
The InChIKey is JHIPTYDYYYBVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-9(10-7-11-12)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3.
What are the key properties of 5-cyclohexyl-1-methyl-1,2,4-triazole?
5-cyclohexyl-1-methyl-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-methyl-1,2,4-triazole is sourced from PubChem (CID 15496060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).