methane;methanimidamide;phosphoric acid

C2H17N2O12P3 — CID 175302890

IUPACmethane;methanimidamide;phosphoric acid
SMILESC.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.[H]/N=C/N
InChIInChI=1S/CH4N2.CH4.3H3O4P/c2-1-3;;3*1-5(2,3)4/h1H,(H3,2,3);1H4;3*(H3,1,2,3,4)
InChIKeyWVYWSLPCZFYENV-UHFFFAOYSA-N
MW354.08 g/mol
LogP-2.60
Rot. Bonds

About methane;methanimidamide;phosphoric acid

methane;methanimidamide;phosphoric acid (PubChem CID 175302890) has the molecular formula C2H17N2O12P3 and a molecular weight of 354.08 g/mol. Its IUPAC name is methane;methanimidamide;phosphoric acid.

Molecular Properties

Compound Namemethane;methanimidamide;phosphoric acid
PubChem CID175302890
Molecular FormulaC2H17N2O12P3
Molecular Weight354.08 g/mol
Exact Mass354.00
IUPAC Namemethane;methanimidamide;phosphoric acid
SMILESC.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.[H]/N=C/N
InChIInChI=1S/CH4N2.CH4.3H3O4P/c2-1-3;;3*1-5(2,3)4/h1H,(H3,2,3);1H4;3*(H3,1,2,3,4)
InChIKeyWVYWSLPCZFYENV-UHFFFAOYSA-N
XLogP-2.60
TPSA283.15 Ų
H-Bond Donors11
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.08
LogP ≤ 5-2.60
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methane;methanimidamide;phosphoric acid?
The IUPAC name of methane;methanimidamide;phosphoric acid (CID 175302890) is methane;methanimidamide;phosphoric acid.
What is the SMILES notation for methane;methanimidamide;phosphoric acid?
The canonical SMILES for methane;methanimidamide;phosphoric acid is C.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.[H]/N=C/N.
What is the InChIKey of methane;methanimidamide;phosphoric acid?
The InChIKey is WVYWSLPCZFYENV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2.CH4.3H3O4P/c2-1-3;;3*1-5(2,3)4/h1H,(H3,2,3);1H4;3*(H3,1,2,3,4).
What are the key properties of methane;methanimidamide;phosphoric acid?
methane;methanimidamide;phosphoric acid has a molecular weight of 354.08 g/mol, XLogP of -2.60, 0 rotatable bonds, 11 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanimidamide;phosphoric acid is sourced from PubChem (CID 175302890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).