4-Hydroxy triamterene sulfate potassium salt

C12H11KN7O4S — CID 169442251

IUPAC—
SMILESNc1nc(N)c2nc(-c3ccc(OS(=O)(=O)O)cc3)c(N)nc2n1.[K]
InChIInChI=1S/C12H11N7O4S.K/c13-9-7(5-1-3-6(4-2-5)23-24(20,21)22)16-8-10(14)18-12(15)19-11(8)17-9;/h1-4H,(H,20,21,22)(H6,13,14,15,17,18,19);
InChIKeyYIWNWIRASCPBJZ-UHFFFAOYSA-N
MW388.43 g/mol
LogP-0.37
Rot. Bonds3

About 4-Hydroxy triamterene sulfate potassium salt

4-Hydroxy triamterene sulfate potassium salt (PubChem CID 169442251) has the molecular formula C12H11KN7O4S and a molecular weight of 388.43 g/mol.

Molecular Properties

Compound Name4-Hydroxy triamterene sulfate potassium salt
PubChem CID169442251
Molecular FormulaC12H11KN7O4S
Molecular Weight388.43 g/mol
Exact Mass388.02
IUPAC Name—
SMILESNc1nc(N)c2nc(-c3ccc(OS(=O)(=O)O)cc3)c(N)nc2n1.[K]
InChIInChI=1S/C12H11N7O4S.K/c13-9-7(5-1-3-6(4-2-5)23-24(20,21)22)16-8-10(14)18-12(15)19-11(8)17-9;/h1-4H,(H,20,21,22)(H6,13,14,15,17,18,19);
InChIKeyYIWNWIRASCPBJZ-UHFFFAOYSA-N
XLogP-0.37
TPSA193.22 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine
CID 3025515
6-(3,4-dimethylphenyl)pteridine-2,4,7-triamine
CID 125484319
1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol
CID 19861844
6-(3-bromophenyl)pteridine-2,4,7-triamine
CID 118987043
6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine
CID 171986786
3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;dihydrochloride
CID 18455700
(2,4-diamino-6-butoxypyrimidin-5-yl) hydrogen sulfate
CID 70926549
4-phenylpteridine-2,6,7-triamine
CID 119087986
[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl] acetate
CID 169396141
5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 174851736
sulfuric acid;1,3,5-triazine-2,4,6-triamine
CID 68603217
methyl 4-[(2,4-diaminopteridin-6-yl)methoxy]benzoate
CID 134112689

Frequently Asked Questions

What is the IUPAC name of 4-Hydroxy triamterene sulfate potassium salt?
The IUPAC name of 4-Hydroxy triamterene sulfate potassium salt (CID 169442251) is not available.
What is the SMILES notation for 4-Hydroxy triamterene sulfate potassium salt?
The canonical SMILES for 4-Hydroxy triamterene sulfate potassium salt is Nc1nc(N)c2nc(-c3ccc(OS(=O)(=O)O)cc3)c(N)nc2n1.[K].
What is the InChIKey of 4-Hydroxy triamterene sulfate potassium salt?
The InChIKey is YIWNWIRASCPBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O4S.K/c13-9-7(5-1-3-6(4-2-5)23-24(20,21)22)16-8-10(14)18-12(15)19-11(8)17-9;/h1-4H,(H,20,21,22)(H6,13,14,15,17,18,19);.
What are the key properties of 4-Hydroxy triamterene sulfate potassium salt?
4-Hydroxy triamterene sulfate potassium salt has a molecular weight of 388.43 g/mol, XLogP of -0.37, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Hydroxy triamterene sulfate potassium salt is sourced from PubChem (CID 169442251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).