tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid

C9H24N21O4P — CID 173004298

IUPACtris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid
SMILESNNc1nc(N)nc(N)n1.NNc1nc(N)nc(N)n1.NNc1nc(N)nc(N)n1.O=P(O)(O)O
InChIInChI=1S/3C3H7N7.H3O4P/c3*4-1-7-2(5)9-3(8-1)10-6;1-5(2,3)4/h3*6H2,(H5,4,5,7,8,9,10);(H3,1,2,3,4)
InChIKeyVKTLOWUCMDONID-UHFFFAOYSA-N
MW521.41 g/mol
LogP-5.96
Rot. Bonds3

About tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid

tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid (PubChem CID 173004298) has the molecular formula C9H24N21O4P and a molecular weight of 521.41 g/mol. Its IUPAC name is tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid.

Molecular Properties

Compound Nametris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid
PubChem CID173004298
Molecular FormulaC9H24N21O4P
Molecular Weight521.41 g/mol
Exact Mass521.21
IUPAC Nametris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid
SMILESNNc1nc(N)nc(N)n1.NNc1nc(N)nc(N)n1.NNc1nc(N)nc(N)n1.O=P(O)(O)O
InChIInChI=1S/3C3H7N7.H3O4P/c3*4-1-7-2(5)9-3(8-1)10-6;1-5(2,3)4/h3*6H2,(H5,4,5,7,8,9,10);(H3,1,2,3,4)
InChIKeyVKTLOWUCMDONID-UHFFFAOYSA-N
XLogP-5.96
TPSA464.04 Ų
H-Bond Donors15
H-Bond Acceptors22
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500521.41
LogP ≤ 5-5.96
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azane;phosphoric acid;1,3,5-triazine-2,4,6-triamine
CID 173308958
phosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 163472059
azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine
CID 173089859
phosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine
CID 88814142
2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 162156897
ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine)
CID 173065956
zinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate
CID 175145340
3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid
CID 25243680
N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea
CID 159363516
bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;diphosphono hydrogen phosphate;hexakis(1,3,5-triazine-2,4,6-triamine)
CID 157061719
1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493

Frequently Asked Questions

What is the IUPAC name of tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid?
The IUPAC name of tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid (CID 173004298) is tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid.
What is the SMILES notation for tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid?
The canonical SMILES for tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid is NNc1nc(N)nc(N)n1.NNc1nc(N)nc(N)n1.NNc1nc(N)nc(N)n1.O=P(O)(O)O.
What is the InChIKey of tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid?
The InChIKey is VKTLOWUCMDONID-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7N7.H3O4P/c3*4-1-7-2(5)9-3(8-1)10-6;1-5(2,3)4/h3*6H2,(H5,4,5,7,8,9,10);(H3,1,2,3,4).
What are the key properties of tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid?
tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid has a molecular weight of 521.41 g/mol, XLogP of -5.96, 3 rotatable bonds, 15 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid is sourced from PubChem (CID 173004298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).