4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine

C9H12Cl2N4 — CID 596853

IUPAC4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NC2CCCCC2)n1
InChIInChI=1S/C9H12Cl2N4/c10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13,14,15)
InChIKeyNPYDPROENPLGBR-UHFFFAOYSA-N
MW247.13 g/mol
LogP2.92
Rot. Bonds2

About 4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine

4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine (PubChem CID 596853) has the molecular formula C9H12Cl2N4 and a molecular weight of 247.13 g/mol. Its IUPAC name is 4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine
PubChem CID596853
Molecular FormulaC9H12Cl2N4
Molecular Weight247.13 g/mol
Exact Mass246.04
IUPAC Name4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NC2CCCCC2)n1
InChIInChI=1S/C9H12Cl2N4/c10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13,14,15)
InChIKeyNPYDPROENPLGBR-UHFFFAOYSA-N
XLogP2.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine (CID 596853) is 4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(NC2CCCCC2)n1.
What is the InChIKey of 4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine?
The InChIKey is NPYDPROENPLGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4/c10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13,14,15).
What are the key properties of 4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine?
4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine has a molecular weight of 247.13 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 596853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).