ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine)

C10H23N12O3P — CID 173065956

IUPACethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine)
SMILESCCP(=O)(O)O.CNc1nc(N)nc(N)n1.CNc1nc(N)nc(N)n1
InChIInChI=1S/2C4H8N6.C2H7O3P/c2*1-7-4-9-2(5)8-3(6)10-4;1-2-6(3,4)5/h2*1H3,(H5,5,6,7,8,9,10);2H2,1H3,(H2,3,4,5)
InChIKeyYBDWUHFAJLMSGR-UHFFFAOYSA-N
MW390.35 g/mol
LogP-1.66
Rot. Bonds3

About ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine)

ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine) (PubChem CID 173065956) has the molecular formula C10H23N12O3P and a molecular weight of 390.35 g/mol. Its IUPAC name is ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine).

Molecular Properties

Compound Nameethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine)
PubChem CID173065956
Molecular FormulaC10H23N12O3P
Molecular Weight390.35 g/mol
Exact Mass390.18
IUPAC Nameethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine)
SMILESCCP(=O)(O)O.CNc1nc(N)nc(N)n1.CNc1nc(N)nc(N)n1
InChIInChI=1S/2C4H8N6.C2H7O3P/c2*1-7-4-9-2(5)8-3(6)10-4;1-2-6(3,4)5/h2*1H3,(H5,5,6,7,8,9,10);2H2,1H3,(H2,3,4,5)
InChIKeyYBDWUHFAJLMSGR-UHFFFAOYSA-N
XLogP-1.66
TPSA263.01 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500390.35
LogP ≤ 5-1.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 173423869
2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19357503
tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid
CID 173004298
phosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine
CID 88814142
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
2-N-methyl-6-nitroso-1,3,5-triazine-2,4-diamine
CID 174411106
6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 67336723
ethylphosphonic acid;phosphoric acid
CID 87124135
azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine
CID 173089859
2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine
CID 159305843
5-[[4-[5-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentylamino]-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 139460958

Frequently Asked Questions

What is the IUPAC name of ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine)?
The IUPAC name of ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine) (CID 173065956) is ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine).
What is the SMILES notation for ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine)?
The canonical SMILES for ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine) is CCP(=O)(O)O.CNc1nc(N)nc(N)n1.CNc1nc(N)nc(N)n1.
What is the InChIKey of ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine)?
The InChIKey is YBDWUHFAJLMSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8N6.C2H7O3P/c2*1-7-4-9-2(5)8-3(6)10-4;1-2-6(3,4)5/h2*1H3,(H5,5,6,7,8,9,10);2H2,1H3,(H2,3,4,5).
What are the key properties of ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine)?
ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine) has a molecular weight of 390.35 g/mol, XLogP of -1.66, 3 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine) is sourced from PubChem (CID 173065956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).