3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine

C11H17ClN4 — CID 115000546

IUPAC3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine
SMILESCC1CCCCC1N(C)c1cnnc(Cl)n1
InChIInChI=1S/C11H17ClN4/c1-8-5-3-4-6-9(8)16(2)10-7-13-15-11(12)14-10/h7-9H,3-6H2,1-2H3
InChIKeyJEBDSXHDFGCBMD-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.54
Rot. Bonds2

About 3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine

3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine (PubChem CID 115000546) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine
PubChem CID115000546
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine
SMILESCC1CCCCC1N(C)c1cnnc(Cl)n1
InChIInChI=1S/C11H17ClN4/c1-8-5-3-4-6-9(8)16(2)10-7-13-15-11(12)14-10/h7-9H,3-6H2,1-2H3
InChIKeyJEBDSXHDFGCBMD-UHFFFAOYSA-N
XLogP2.54
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine (CID 115000546) is 3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine is CC1CCCCC1N(C)c1cnnc(Cl)n1.
What is the InChIKey of 3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine?
The InChIKey is JEBDSXHDFGCBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-8-5-3-4-6-9(8)16(2)10-7-13-15-11(12)14-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine?
3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine has a molecular weight of 240.74 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 115000546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).