2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine

C4H6Cl2N6 — CID 154732087

IUPAC2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCl)nc(NCl)n1
InChIInChI=1S/C4H6Cl2N6/c1-7-2-8-3(11-5)10-4(9-2)12-6/h1H3,(H3,7,8,9,10,11,12)
InChIKeyGQHVSVPHTIHXIQ-UHFFFAOYSA-N
MW209.04 g/mol
LogP1.04
Rot. Bonds3

About 2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 154732087) has the molecular formula C4H6Cl2N6 and a molecular weight of 209.04 g/mol. Its IUPAC name is 2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID154732087
Molecular FormulaC4H6Cl2N6
Molecular Weight209.04 g/mol
Exact Mass208.00
IUPAC Name2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCl)nc(NCl)n1
InChIInChI=1S/C4H6Cl2N6/c1-7-2-8-3(11-5)10-4(9-2)12-6/h1H3,(H3,7,8,9,10,11,12)
InChIKeyGQHVSVPHTIHXIQ-UHFFFAOYSA-N
XLogP1.04
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.04
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 154732087) is 2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(NCl)nc(NCl)n1.
What is the InChIKey of 2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GQHVSVPHTIHXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2N6/c1-7-2-8-3(11-5)10-4(9-2)12-6/h1H3,(H3,7,8,9,10,11,12).
What are the key properties of 2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 209.04 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 154732087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).