N-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine

C13H22N4 — CID 114448626

IUPACN-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NC2CCC(C)(C)CC2)nc1C
InChIInChI=1S/C13H22N4/c1-9-10(2)16-17-12(14-9)15-11-5-7-13(3,4)8-6-11/h11H,5-8H2,1-4H3,(H,14,15,17)
InChIKeyZBMNKNYSJVMBAN-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.87
Rot. Bonds2

About N-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine

N-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 114448626) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID114448626
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NC2CCC(C)(C)CC2)nc1C
InChIInChI=1S/C13H22N4/c1-9-10(2)16-17-12(14-9)15-11-5-7-13(3,4)8-6-11/h11H,5-8H2,1-4H3,(H,14,15,17)
InChIKeyZBMNKNYSJVMBAN-UHFFFAOYSA-N
XLogP2.87
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine (CID 114448626) is N-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine is Cc1nnc(NC2CCC(C)(C)CC2)nc1C.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is ZBMNKNYSJVMBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-10(2)16-17-12(14-9)15-11-5-7-13(3,4)8-6-11/h11H,5-8H2,1-4H3,(H,14,15,17).
What are the key properties of N-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
N-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 234.35 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 114448626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).