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

C9H21N6O4P — CID 172706081

IUPAC2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
SMILESCN(C)c1nc(N(C)C)nc(N(C)C)n1.O=P(O)(O)O
InChIInChI=1S/C9H18N6.H3O4P/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6;1-5(2,3)4/h1-6H3;(H3,1,2,3,4)
InChIKeyDPJUGLKHOMJBOW-UHFFFAOYSA-N
MW308.28 g/mol
LogP-0.86
Rot. Bonds3

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

2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid (PubChem CID 172706081) has the molecular formula C9H21N6O4P and a molecular weight of 308.28 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;phosphoric acid.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
PubChem CID172706081
Molecular FormulaC9H21N6O4P
Molecular Weight308.28 g/mol
Exact Mass308.14
IUPAC Name2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
SMILESCN(C)c1nc(N(C)C)nc(N(C)C)n1.O=P(O)(O)O
InChIInChI=1S/C9H18N6.H3O4P/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6;1-5(2,3)4/h1-6H3;(H3,1,2,3,4)
InChIKeyDPJUGLKHOMJBOW-UHFFFAOYSA-N
XLogP-0.86
TPSA126.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', '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;phosphoric acid with MolForge

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Related Compounds

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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;phosphoric acid?
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;phosphoric acid (CID 172706081) is 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid.
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;phosphoric acid?
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;phosphoric acid is CN(C)c1nc(N(C)C)nc(N(C)C)n1.O=P(O)(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;phosphoric acid?
The InChIKey is DPJUGLKHOMJBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6.H3O4P/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6;1-5(2,3)4/h1-6H3;(H3,1,2,3,4).
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;phosphoric acid?
2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid has a molecular weight of 308.28 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 7 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;phosphoric acid is sourced from PubChem (CID 172706081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).