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

C5H3Cl2N5 — CID 119083356

IUPAC2,4-dichloro-6-(2-diazoethyl)-1,3,5-triazine
SMILES[N-]=[N+]=CCc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H3Cl2N5/c6-4-10-3(1-2-9-8)11-5(7)12-4/h2H,1H2
InChIKeyLNKULJWJEFUKBL-UHFFFAOYSA-N
MW204.02 g/mol
LogP1.02
Rot. Bonds2

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

2,4-dichloro-6-(2-diazoethyl)-1,3,5-triazine (PubChem CID 119083356) has the molecular formula C5H3Cl2N5 and a molecular weight of 204.02 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-diazoethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2-diazoethyl)-1,3,5-triazine
PubChem CID119083356
Molecular FormulaC5H3Cl2N5
Molecular Weight204.02 g/mol
Exact Mass202.98
IUPAC Name2,4-dichloro-6-(2-diazoethyl)-1,3,5-triazine
SMILES[N-]=[N+]=CCc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H3Cl2N5/c6-4-10-3(1-2-9-8)11-5(7)12-4/h2H,1H2
InChIKeyLNKULJWJEFUKBL-UHFFFAOYSA-N
XLogP1.02
TPSA75.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.02
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2-diazoethyl)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2-diazoethyl)-1,3,5-triazine (CID 119083356) is 2,4-dichloro-6-(2-diazoethyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2-diazoethyl)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2-diazoethyl)-1,3,5-triazine is [N-]=[N+]=CCc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(2-diazoethyl)-1,3,5-triazine?
The InChIKey is LNKULJWJEFUKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2N5/c6-4-10-3(1-2-9-8)11-5(7)12-4/h2H,1H2.
What are the key properties of 2,4-dichloro-6-(2-diazoethyl)-1,3,5-triazine?
2,4-dichloro-6-(2-diazoethyl)-1,3,5-triazine has a molecular weight of 204.02 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2-diazoethyl)-1,3,5-triazine is sourced from PubChem (CID 119083356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).