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

C9H13N6O4P — CID 162156897

IUPAC2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
SMILESNc1nc(N)nc(Nc2ccccc2)n1.O=P(O)(O)O
InChIInChI=1S/C9H10N6.H3O4P/c10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,(H5,10,11,12,13,14,15);(H3,1,2,3,4)
InChIKeyZLYHDYSDLNKZMU-UHFFFAOYSA-N
MW300.22 g/mol
LogP-0.15
Rot. Bonds2

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

2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid (PubChem CID 162156897) has the molecular formula C9H13N6O4P and a molecular weight of 300.22 g/mol. Its IUPAC name is 2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid.

Molecular Properties

Compound Name2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
PubChem CID162156897
Molecular FormulaC9H13N6O4P
Molecular Weight300.22 g/mol
Exact Mass300.07
IUPAC Name2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
SMILESNc1nc(N)nc(Nc2ccccc2)n1.O=P(O)(O)O
InChIInChI=1S/C9H10N6.H3O4P/c10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,(H5,10,11,12,13,14,15);(H3,1,2,3,4)
InChIKeyZLYHDYSDLNKZMU-UHFFFAOYSA-N
XLogP-0.15
TPSA180.50 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol
CID 117058513
aniline;N-phenylaniline;phosphoric acid
CID 66746384
2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 101453864
2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine
CID 71395305
phenylphosphonic acid;bis(1,3,5-triazine-2,4,6-triamine)
CID 172995244
diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine
CID 67592807
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 141026020
tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid
CID 173004298
[2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol
CID 155540592
3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]benzenethiol
CID 167276914
6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18126026
azane;phosphoric acid;1,3,5-triazine-2,4,6-triamine
CID 173308958

Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid?
The IUPAC name of 2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid (CID 162156897) is 2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid.
What is the SMILES notation for 2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid?
The canonical SMILES for 2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid is Nc1nc(N)nc(Nc2ccccc2)n1.O=P(O)(O)O.
What is the InChIKey of 2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid?
The InChIKey is ZLYHDYSDLNKZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6.H3O4P/c10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,(H5,10,11,12,13,14,15);(H3,1,2,3,4).
What are the key properties of 2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid?
2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid has a molecular weight of 300.22 g/mol, XLogP of -0.15, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid is sourced from PubChem (CID 162156897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).