2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine

C3H3Cl3N6 — CID 24322

IUPAC2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine
SMILESClNc1nc(NCl)nc(NCl)n1
InChIInChI=1S/C3H3Cl3N6/c4-10-1-7-2(11-5)9-3(8-1)12-6/h(H3,7,8,9,10,11,12)
InChIKeyKEPNSIARSTUPGS-UHFFFAOYSA-N
MW229.46 g/mol
LogP1.57
Rot. Bonds3

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

2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine (PubChem CID 24322) has the molecular formula C3H3Cl3N6 and a molecular weight of 229.46 g/mol. Its IUPAC name is 2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine
PubChem CID24322
Molecular FormulaC3H3Cl3N6
Molecular Weight229.46 g/mol
Exact Mass227.95
IUPAC Name2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine
SMILESClNc1nc(NCl)nc(NCl)n1
InChIInChI=1S/C3H3Cl3N6/c4-10-1-7-2(11-5)9-3(8-1)12-6/h(H3,7,8,9,10,11,12)
InChIKeyKEPNSIARSTUPGS-UHFFFAOYSA-N
XLogP1.57
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.46
LogP ≤ 51.57
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,6-N-trichloro-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine (CID 24322) is 2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine is ClNc1nc(NCl)nc(NCl)n1.
What is the InChIKey of 2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KEPNSIARSTUPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl3N6/c4-10-1-7-2(11-5)9-3(8-1)12-6/h(H3,7,8,9,10,11,12).
What are the key properties of 2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine has a molecular weight of 229.46 g/mol, XLogP of 1.57, 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,6-N-trichloro-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 24322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).