4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine

C11H16Cl2N4 — CID 64744122

IUPAC4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine
SMILESCCC1CCCC(Nc2nc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C11H16Cl2N4/c1-2-7-4-3-5-8(6-7)14-11-16-9(12)15-10(13)17-11/h7-8H,2-6H2,1H3,(H,14,15,16,17)
InChIKeyDKOYOMREOFZXBS-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.56
Rot. Bonds3

About 4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine (PubChem CID 64744122) has the molecular formula C11H16Cl2N4 and a molecular weight of 275.18 g/mol. Its IUPAC name is 4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine
PubChem CID64744122
Molecular FormulaC11H16Cl2N4
Molecular Weight275.18 g/mol
Exact Mass274.08
IUPAC Name4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine
SMILESCCC1CCCC(Nc2nc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C11H16Cl2N4/c1-2-7-4-3-5-8(6-7)14-11-16-9(12)15-10(13)17-11/h7-8H,2-6H2,1H3,(H,14,15,16,17)
InChIKeyDKOYOMREOFZXBS-UHFFFAOYSA-N
XLogP3.56
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.56
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-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine (CID 64744122) is 4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine is CCC1CCCC(Nc2nc(Cl)nc(Cl)n2)C1.
What is the InChIKey of 4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine?
The InChIKey is DKOYOMREOFZXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4/c1-2-7-4-3-5-8(6-7)14-11-16-9(12)15-10(13)17-11/h7-8H,2-6H2,1H3,(H,14,15,16,17).
What are the key properties of 4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine has a molecular weight of 275.18 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 64744122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).