2,4-dichloro-1,3,5-triazinane

C3H7Cl2N3 — CID 140579479

IUPAC2,4-dichloro-1,3,5-triazinane
SMILESClC1NCNC(Cl)N1
InChIInChI=1S/C3H7Cl2N3/c4-2-6-1-7-3(5)8-2/h2-3,6-8H,1H2
InChIKeyQYWMPGWZNUGGSS-UHFFFAOYSA-N
MW156.02 g/mol
LogP-0.23
Rot. Bonds

About 2,4-dichloro-1,3,5-triazinane

2,4-dichloro-1,3,5-triazinane (PubChem CID 140579479) has the molecular formula C3H7Cl2N3 and a molecular weight of 156.02 g/mol. Its IUPAC name is 2,4-dichloro-1,3,5-triazinane.

Molecular Properties

Compound Name2,4-dichloro-1,3,5-triazinane
PubChem CID140579479
Molecular FormulaC3H7Cl2N3
Molecular Weight156.02 g/mol
Exact Mass155.00
IUPAC Name2,4-dichloro-1,3,5-triazinane
SMILESClC1NCNC(Cl)N1
InChIInChI=1S/C3H7Cl2N3/c4-2-6-1-7-3(5)8-2/h2-3,6-8H,1H2
InChIKeyQYWMPGWZNUGGSS-UHFFFAOYSA-N
XLogP-0.23
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.02
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1,3,5-triazinane?
The IUPAC name of 2,4-dichloro-1,3,5-triazinane (CID 140579479) is 2,4-dichloro-1,3,5-triazinane.
What is the SMILES notation for 2,4-dichloro-1,3,5-triazinane?
The canonical SMILES for 2,4-dichloro-1,3,5-triazinane is ClC1NCNC(Cl)N1.
What is the InChIKey of 2,4-dichloro-1,3,5-triazinane?
The InChIKey is QYWMPGWZNUGGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl2N3/c4-2-6-1-7-3(5)8-2/h2-3,6-8H,1H2.
What are the key properties of 2,4-dichloro-1,3,5-triazinane?
2,4-dichloro-1,3,5-triazinane has a molecular weight of 156.02 g/mol, XLogP of -0.23, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1,3,5-triazinane is sourced from PubChem (CID 140579479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).