3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole

C12H21N3 — CID 115395572

IUPAC3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1cnnc1C1CCCCC1
InChIInChI=1S/C12H21N3/c1-10(2)8-15-9-13-14-12(15)11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3
InChIKeyDLHXDDMOUOQTLS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.98
Rot. Bonds3

About 3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole

3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole (PubChem CID 115395572) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole
PubChem CID115395572
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1cnnc1C1CCCCC1
InChIInChI=1S/C12H21N3/c1-10(2)8-15-9-13-14-12(15)11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3
InChIKeyDLHXDDMOUOQTLS-UHFFFAOYSA-N
XLogP2.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole?
The IUPAC name of 3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole (CID 115395572) is 3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole.
What is the SMILES notation for 3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole?
The canonical SMILES for 3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole is CC(C)Cn1cnnc1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole?
The InChIKey is DLHXDDMOUOQTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)8-15-9-13-14-12(15)11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole?
3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole has a molecular weight of 207.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole is sourced from PubChem (CID 115395572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).