1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine

C9H12Cl6N6 — CID 139391218

IUPAC1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H6Cl6.C3H6N6/c7-1-2(8)4(10)6(12)5(11)3(1)9;4-1-7-2(5)9-3(6)8-1/h1-6H;(H6,4,5,6,7,8,9)
InChIKeyUTEJKCDUSAJJSJ-UHFFFAOYSA-N
MW416.96 g/mol
LogP2.26
Rot. Bonds

About 1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine

1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine (PubChem CID 139391218) has the molecular formula C9H12Cl6N6 and a molecular weight of 416.96 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine
PubChem CID139391218
Molecular FormulaC9H12Cl6N6
Molecular Weight416.96 g/mol
Exact Mass413.93
IUPAC Name1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H6Cl6.C3H6N6/c7-1-2(8)4(10)6(12)5(11)3(1)9;4-1-7-2(5)9-3(6)8-1/h1-6H;(H6,4,5,6,7,8,9)
InChIKeyUTEJKCDUSAJJSJ-UHFFFAOYSA-N
XLogP2.26
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.96
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine (CID 139391218) is 1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine is ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine?
The InChIKey is UTEJKCDUSAJJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl6.C3H6N6/c7-1-2(8)4(10)6(12)5(11)3(1)9;4-1-7-2(5)9-3(6)8-1/h1-6H;(H6,4,5,6,7,8,9).
What are the key properties of 1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine?
1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine has a molecular weight of 416.96 g/mol, XLogP of 2.26, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 139391218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).