phosphoric acid;triazin-4-amine

C3H7N4O4P — CID 67739552

IUPACphosphoric acid;triazin-4-amine
SMILESNc1ccnnn1.O=P(O)(O)O
InChIInChI=1S/C3H4N4.H3O4P/c4-3-1-2-5-7-6-3;1-5(2,3)4/h1-2H,(H2,4,5,6);(H3,1,2,3,4)
InChIKeyWJPPOYRWJWXYCN-UHFFFAOYSA-N
MW194.09 g/mol
LogP-1.47
Rot. Bonds

About phosphoric acid;triazin-4-amine

phosphoric acid;triazin-4-amine (PubChem CID 67739552) has the molecular formula C3H7N4O4P and a molecular weight of 194.09 g/mol. Its IUPAC name is phosphoric acid;triazin-4-amine.

Molecular Properties

Compound Namephosphoric acid;triazin-4-amine
PubChem CID67739552
Molecular FormulaC3H7N4O4P
Molecular Weight194.09 g/mol
Exact Mass194.02
IUPAC Namephosphoric acid;triazin-4-amine
SMILESNc1ccnnn1.O=P(O)(O)O
InChIInChI=1S/C3H4N4.H3O4P/c4-3-1-2-5-7-6-3;1-5(2,3)4/h1-2H,(H2,4,5,6);(H3,1,2,3,4)
InChIKeyWJPPOYRWJWXYCN-UHFFFAOYSA-N
XLogP-1.47
TPSA142.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.09
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphoric acid;triazin-4-amine?
The IUPAC name of phosphoric acid;triazin-4-amine (CID 67739552) is phosphoric acid;triazin-4-amine.
What is the SMILES notation for phosphoric acid;triazin-4-amine?
The canonical SMILES for phosphoric acid;triazin-4-amine is Nc1ccnnn1.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;triazin-4-amine?
The InChIKey is WJPPOYRWJWXYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4.H3O4P/c4-3-1-2-5-7-6-3;1-5(2,3)4/h1-2H,(H2,4,5,6);(H3,1,2,3,4).
What are the key properties of phosphoric acid;triazin-4-amine?
phosphoric acid;triazin-4-amine has a molecular weight of 194.09 g/mol, XLogP of -1.47, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;triazin-4-amine is sourced from PubChem (CID 67739552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).