1-(cyclohexylmethyl)-3,5-dimethyl-1,2,4-triazole

C11H19N3 — CID 90775615

IUPAC1-(cyclohexylmethyl)-3,5-dimethyl-1,2,4-triazole
SMILESCc1nc(C)n(CC2CCCCC2)n1
InChIInChI=1S/C11H19N3/c1-9-12-10(2)14(13-9)8-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3
InChIKeyPAZOTDXLNGPCIX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.48
Rot. Bonds2

About 1-(cyclohexylmethyl)-3,5-dimethyl-1,2,4-triazole

1-(cyclohexylmethyl)-3,5-dimethyl-1,2,4-triazole (PubChem CID 90775615) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3,5-dimethyl-1,2,4-triazole
PubChem CID90775615
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(cyclohexylmethyl)-3,5-dimethyl-1,2,4-triazole
SMILESCc1nc(C)n(CC2CCCCC2)n1
InChIInChI=1S/C11H19N3/c1-9-12-10(2)14(13-9)8-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3
InChIKeyPAZOTDXLNGPCIX-UHFFFAOYSA-N
XLogP2.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3,5-dimethyl-1,2,4-triazole?
The IUPAC name of 1-(cyclohexylmethyl)-3,5-dimethyl-1,2,4-triazole (CID 90775615) is 1-(cyclohexylmethyl)-3,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-3,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 1-(cyclohexylmethyl)-3,5-dimethyl-1,2,4-triazole is Cc1nc(C)n(CC2CCCCC2)n1.
What is the InChIKey of 1-(cyclohexylmethyl)-3,5-dimethyl-1,2,4-triazole?
The InChIKey is PAZOTDXLNGPCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-12-10(2)14(13-9)8-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-3,5-dimethyl-1,2,4-triazole?
1-(cyclohexylmethyl)-3,5-dimethyl-1,2,4-triazole has a molecular weight of 193.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 90775615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).