2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine

C10H13Cl2N3 — CID 121389488

IUPAC2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine
SMILESCC1(c2nc(Cl)nc(Cl)n2)CCCCC1
InChIInChI=1S/C10H13Cl2N3/c1-10(5-3-2-4-6-10)7-13-8(11)15-9(12)14-7/h2-6H2,1H3
InChIKeyDXOFPVXCUMQYRT-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.40
Rot. Bonds1

About 2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine

2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine (PubChem CID 121389488) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is 2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine
PubChem CID121389488
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC Name2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine
SMILESCC1(c2nc(Cl)nc(Cl)n2)CCCCC1
InChIInChI=1S/C10H13Cl2N3/c1-10(5-3-2-4-6-10)7-13-8(11)15-9(12)14-7/h2-6H2,1H3
InChIKeyDXOFPVXCUMQYRT-UHFFFAOYSA-N
XLogP3.40
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine (CID 121389488) is 2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine is CC1(c2nc(Cl)nc(Cl)n2)CCCCC1.
What is the InChIKey of 2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine?
The InChIKey is DXOFPVXCUMQYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3/c1-10(5-3-2-4-6-10)7-13-8(11)15-9(12)14-7/h2-6H2,1H3.
What are the key properties of 2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine?
2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine has a molecular weight of 246.14 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine is sourced from PubChem (CID 121389488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).