potassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine

C4H10KN6O6P — CID 174979038

IUPACpotassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C(O)OP(=O)(O)O.[H-].[K+]
InChIInChI=1S/C3H6N6.CH3O6P.K.H/c4-1-7-2(5)9-3(6)8-1;2-1(3)7-8(4,5)6;;/h(H6,4,5,6,7,8,9);(H,2,3)(H2,4,5,6);;/q;;+1;-1
InChIKeyIUJLBCBVNAFBQR-UHFFFAOYSA-N
MW308.23 g/mol
LogP-4.49
Rot. Bonds1

About potassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine

potassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine (PubChem CID 174979038) has the molecular formula C4H10KN6O6P and a molecular weight of 308.23 g/mol. Its IUPAC name is potassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namepotassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine
PubChem CID174979038
Molecular FormulaC4H10KN6O6P
Molecular Weight308.23 g/mol
Exact Mass308.00
IUPAC Namepotassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C(O)OP(=O)(O)O.[H-].[K+]
InChIInChI=1S/C3H6N6.CH3O6P.K.H/c4-1-7-2(5)9-3(6)8-1;2-1(3)7-8(4,5)6;;/h(H6,4,5,6,7,8,9);(H,2,3)(H2,4,5,6);;/q;;+1;-1
InChIKeyIUJLBCBVNAFBQR-UHFFFAOYSA-N
XLogP-4.49
TPSA220.79 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.23
LogP ≤ 5-4.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

potassium;sodium;hydride;phosphono hydrogen carbonate
CID 174050740
dilithium;hydride;phosphono hydrogen carbonate
CID 174596841
dicalcium;hydride;phosphono hydrogen carbonate
CID 173003816
trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate
CID 175560096
phosphono prop-2-enoate;1,3,5-triazine-2,4,6-triamine
CID 174636064
azane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea
CID 173347097
phosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 163472059
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
bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;diphosphono hydrogen phosphate;hexakis(1,3,5-triazine-2,4,6-triamine)
CID 157061719
azane;carbonic acid;1,3,5-triazine-2,4,6-triamine
CID 174964625
azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine
CID 173089859

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of potassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine (CID 174979038) is potassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for potassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for potassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=C(O)OP(=O)(O)O.[H-].[K+].
What is the InChIKey of potassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine?
The InChIKey is IUJLBCBVNAFBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.CH3O6P.K.H/c4-1-7-2(5)9-3(6)8-1;2-1(3)7-8(4,5)6;;/h(H6,4,5,6,7,8,9);(H,2,3)(H2,4,5,6);;/q;;+1;-1.
What are the key properties of potassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine?
potassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine has a molecular weight of 308.23 g/mol, XLogP of -4.49, 1 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 174979038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).