1,3-dichloro-1,3,5-triazinane

C3H7Cl2N3 — CID 18980836

IUPAC1,3-dichloro-1,3,5-triazinane
SMILESClN1CNCN(Cl)C1
InChIInChI=1S/C3H7Cl2N3/c4-7-1-6-2-8(5)3-7/h6H,1-3H2
InChIKeyAIZAZKPVNHWCKJ-UHFFFAOYSA-N
MW156.02 g/mol
LogP0.37
Rot. Bonds

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

1,3-dichloro-1,3,5-triazinane (PubChem CID 18980836) has the molecular formula C3H7Cl2N3 and a molecular weight of 156.02 g/mol. Its IUPAC name is 1,3-dichloro-1,3,5-triazinane.

Molecular Properties

Compound Name1,3-dichloro-1,3,5-triazinane
PubChem CID18980836
Molecular FormulaC3H7Cl2N3
Molecular Weight156.02 g/mol
Exact Mass155.00
IUPAC Name1,3-dichloro-1,3,5-triazinane
SMILESClN1CNCN(Cl)C1
InChIInChI=1S/C3H7Cl2N3/c4-7-1-6-2-8(5)3-7/h6H,1-3H2
InChIKeyAIZAZKPVNHWCKJ-UHFFFAOYSA-N
XLogP0.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.02
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-1,3,5-triazinane?
The IUPAC name of 1,3-dichloro-1,3,5-triazinane (CID 18980836) is 1,3-dichloro-1,3,5-triazinane.
What is the SMILES notation for 1,3-dichloro-1,3,5-triazinane?
The canonical SMILES for 1,3-dichloro-1,3,5-triazinane is ClN1CNCN(Cl)C1.
What is the InChIKey of 1,3-dichloro-1,3,5-triazinane?
The InChIKey is AIZAZKPVNHWCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl2N3/c4-7-1-6-2-8(5)3-7/h6H,1-3H2.
What are the key properties of 1,3-dichloro-1,3,5-triazinane?
1,3-dichloro-1,3,5-triazinane has a molecular weight of 156.02 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-1,3,5-triazinane is sourced from PubChem (CID 18980836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).