2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine

C14H26N12O4 — CID 175083324

IUPAC2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N(C)C)nc(N(C)C)n1.Nc1nc(N)nc(N)n1.O=C(O)C(=O)O
InChIInChI=1S/C9H18N6.C3H6N6.C2H2O4/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6;4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6/h1-6H3;(H6,4,5,6,7,8,9);(H,3,4)(H,5,6)
InChIKeyAIIZWMUOKDBYBH-UHFFFAOYSA-N
MW426.44 g/mol
LogP-2.16
Rot. Bonds3

About 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 175083324) has the molecular formula C14H26N12O4 and a molecular weight of 426.44 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine
PubChem CID175083324
Molecular FormulaC14H26N12O4
Molecular Weight426.44 g/mol
Exact Mass426.22
IUPAC Name2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N(C)C)nc(N(C)C)n1.Nc1nc(N)nc(N)n1.O=C(O)C(=O)O
InChIInChI=1S/C9H18N6.C3H6N6.C2H2O4/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6;4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6/h1-6H3;(H6,4,5,6,7,8,9);(H,3,4)(H,5,6)
InChIKeyAIIZWMUOKDBYBH-UHFFFAOYSA-N
XLogP-2.16
TPSA239.72 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 5-2.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine (CID 175083324) is 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N(C)C)nc(N(C)C)n1.Nc1nc(N)nc(N)n1.O=C(O)C(=O)O.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is AIIZWMUOKDBYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6.C3H6N6.C2H2O4/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6;4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6/h1-6H3;(H6,4,5,6,7,8,9);(H,3,4)(H,5,6).
What are the key properties of 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 426.44 g/mol, XLogP of -2.16, 3 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;oxalic acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 175083324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).