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

C3H10ClN6O4P — CID 163472059

IUPACphosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCl.Nc1nc(N)nc(N)n1.O=P(O)(O)O
InChIInChI=1S/C3H6N6.ClH.H3O4P/c4-1-7-2(5)9-3(6)8-1;;1-5(2,3)4/h(H6,4,5,6,7,8,9);1H;(H3,1,2,3,4)
InChIKeyBXHYCKGFNDJMMN-UHFFFAOYSA-N
MW260.58 g/mol
LogP-1.89
Rot. Bonds

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

phosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 163472059) has the molecular formula C3H10ClN6O4P and a molecular weight of 260.58 g/mol. Its IUPAC name is phosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

Compound Namephosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride
PubChem CID163472059
Molecular FormulaC3H10ClN6O4P
Molecular Weight260.58 g/mol
Exact Mass260.02
IUPAC Namephosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCl.Nc1nc(N)nc(N)n1.O=P(O)(O)O
InChIInChI=1S/C3H6N6.ClH.H3O4P/c4-1-7-2(5)9-3(6)8-1;;1-5(2,3)4/h(H6,4,5,6,7,8,9);1H;(H3,1,2,3,4)
InChIKeyBXHYCKGFNDJMMN-UHFFFAOYSA-N
XLogP-1.89
TPSA194.49 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.58
LogP ≤ 5-1.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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;1,3,5-triazine-2,4,6-triamine;hydrochloride?
The IUPAC name of phosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 163472059) is phosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride.
What is the SMILES notation for phosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride?
The canonical SMILES for phosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride is Cl.Nc1nc(N)nc(N)n1.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride?
The InChIKey is BXHYCKGFNDJMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.ClH.H3O4P/c4-1-7-2(5)9-3(6)8-1;;1-5(2,3)4/h(H6,4,5,6,7,8,9);1H;(H3,1,2,3,4).
What are the key properties of phosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride?
phosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 260.58 g/mol, XLogP of -1.89, 0 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 163472059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).