2,4,6-trichloro-1,3-diazinane

C4H7Cl3N2 — CID 42608862

IUPAC2,4,6-trichloro-1,3-diazinane
SMILESClC1CC(Cl)NC(Cl)N1
InChIInChI=1S/C4H7Cl3N2/c5-2-1-3(6)9-4(7)8-2/h2-4,8-9H,1H2
InChIKeyCJESCNFAMHIYSD-UHFFFAOYSA-N
MW189.47 g/mol
LogP1.22
Rot. Bonds

About 2,4,6-trichloro-1,3-diazinane

2,4,6-trichloro-1,3-diazinane (PubChem CID 42608862) has the molecular formula C4H7Cl3N2 and a molecular weight of 189.47 g/mol. Its IUPAC name is 2,4,6-trichloro-1,3-diazinane.

Molecular Properties

Compound Name2,4,6-trichloro-1,3-diazinane
PubChem CID42608862
Molecular FormulaC4H7Cl3N2
Molecular Weight189.47 g/mol
Exact Mass187.97
IUPAC Name2,4,6-trichloro-1,3-diazinane
SMILESClC1CC(Cl)NC(Cl)N1
InChIInChI=1S/C4H7Cl3N2/c5-2-1-3(6)9-4(7)8-2/h2-4,8-9H,1H2
InChIKeyCJESCNFAMHIYSD-UHFFFAOYSA-N
XLogP1.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.47
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichlorobicyclo[2.2.1]heptane
CID 3613638
2,4-dichloro-1,3,5-triazinane
CID 140579479
2,4-diazabicyclo[1.1.1]pentane
CID 101033325
4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane
CID 130020808
4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine
CID 89320942
(1S,2S,4S,5S)-1,2,4,5-tetrachlorocyclohexane
CID 91753323
1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(4-methylcyclohexyl)urea
CID 140900635
3-chloro-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridazine
CID 131664263
chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane
CID 88651642
(1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene
CID 23270288
6-chloropiperidine-2,3-diamine
CID 66791814
1,2,3,4,5,6-hexachlorocyclohexane;iron
CID 87747584

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-1,3-diazinane?
The IUPAC name of 2,4,6-trichloro-1,3-diazinane (CID 42608862) is 2,4,6-trichloro-1,3-diazinane.
What is the SMILES notation for 2,4,6-trichloro-1,3-diazinane?
The canonical SMILES for 2,4,6-trichloro-1,3-diazinane is ClC1CC(Cl)NC(Cl)N1.
What is the InChIKey of 2,4,6-trichloro-1,3-diazinane?
The InChIKey is CJESCNFAMHIYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl3N2/c5-2-1-3(6)9-4(7)8-2/h2-4,8-9H,1H2.
What are the key properties of 2,4,6-trichloro-1,3-diazinane?
2,4,6-trichloro-1,3-diazinane has a molecular weight of 189.47 g/mol, XLogP of 1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-1,3-diazinane is sourced from PubChem (CID 42608862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).