1-(6-aminopyridazin-3-yl)propane-1,2,3-triol

C7H11N3O3 — CID 170817391

IUPAC1-(6-aminopyridazin-3-yl)propane-1,2,3-triol
SMILESNc1ccc(C(O)C(O)CO)nn1
InChIInChI=1S/C7H11N3O3/c8-6-2-1-4(9-10-6)7(13)5(12)3-11/h1-2,5,7,11-13H,3H2,(H2,8,10)
InChIKeyJEBWANICDXTZLA-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.55
Rot. Bonds3

About 1-(6-aminopyridazin-3-yl)propane-1,2,3-triol

1-(6-aminopyridazin-3-yl)propane-1,2,3-triol (PubChem CID 170817391) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 1-(6-aminopyridazin-3-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(6-aminopyridazin-3-yl)propane-1,2,3-triol
PubChem CID170817391
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name1-(6-aminopyridazin-3-yl)propane-1,2,3-triol
SMILESNc1ccc(C(O)C(O)CO)nn1
InChIInChI=1S/C7H11N3O3/c8-6-2-1-4(9-10-6)7(13)5(12)3-11/h1-2,5,7,11-13H,3H2,(H2,8,10)
InChIKeyJEBWANICDXTZLA-UHFFFAOYSA-N
XLogP-1.55
TPSA112.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(6-Aminopyridazin-3-yl)methanol hydrochloride
CID 126797015
(6-Aminopyridazin-3-yl)methanol
CID 20557894
N-[6-(1-hydroxyethyl)pyridazin-3-yl]methanesulfonamide
CID 71230505
1-(6-Aminopyridazin-3-yl)ethenol
CID 118425956
2-(6-Aminopyridazin-3-yl)propan-2-ol
CID 118545170
1-(6-Methylpyridazin-3-yl)propane-1,2-diol
CID 122701590
(1R,2R)-1-(6-methylpyridazin-3-yl)propane-1,2-diol
CID 124085414
Methyl 2-(6-aminopyridazin-3-yl)-2-hydroxyacetate
CID 175078662
3-(6-Aminopyridazin-3-yl)propan-1-ol
CID 105429888
(5,6-Diaminopyridazin-3-yl)methanol
CID 117104927
2-(6-Aminopyridazin-3-yl)ethanol
CID 117104957
1-(6-Methylpyridazin-3-yl)propane-1,2,3-triol
CID 170817328

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyridazin-3-yl)propane-1,2,3-triol?
The IUPAC name of 1-(6-aminopyridazin-3-yl)propane-1,2,3-triol (CID 170817391) is 1-(6-aminopyridazin-3-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(6-aminopyridazin-3-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(6-aminopyridazin-3-yl)propane-1,2,3-triol is Nc1ccc(C(O)C(O)CO)nn1.
What is the InChIKey of 1-(6-aminopyridazin-3-yl)propane-1,2,3-triol?
The InChIKey is JEBWANICDXTZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c8-6-2-1-4(9-10-6)7(13)5(12)3-11/h1-2,5,7,11-13H,3H2,(H2,8,10).
What are the key properties of 1-(6-aminopyridazin-3-yl)propane-1,2,3-triol?
1-(6-aminopyridazin-3-yl)propane-1,2,3-triol has a molecular weight of 185.18 g/mol, XLogP of -1.55, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyridazin-3-yl)propane-1,2,3-triol is sourced from PubChem (CID 170817391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).