3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanenitrile

C7H8N4O2 — CID 171869748

IUPAC3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanenitrile
SMILESN#CC(O)C(O)c1ccc(N)nn1
InChIInChI=1S/C7H8N4O2/c8-3-5(12)7(13)4-1-2-6(9)11-10-4/h1-2,5,7,12-13H,(H2,9,11)
InChIKeyXWHMNQSAUFYGJL-UHFFFAOYSA-N
MW180.17 g/mol
LogP-1.02
Rot. Bonds2

About 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanenitrile

3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanenitrile (PubChem CID 171869748) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanenitrile.

Molecular Properties

Compound Name3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanenitrile
PubChem CID171869748
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanenitrile
SMILESN#CC(O)C(O)c1ccc(N)nn1
InChIInChI=1S/C7H8N4O2/c8-3-5(12)7(13)4-1-2-6(9)11-10-4/h1-2,5,7,12-13H,(H2,9,11)
InChIKeyXWHMNQSAUFYGJL-UHFFFAOYSA-N
XLogP-1.02
TPSA116.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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)ethanol
CID 117104957
1-(6-Aminopyridazin-3-yl)propane-1,2,3-triol
CID 170817391
1-(6-Aminopyridazin-3-yl)-3-sulfanylpropane-1,2-diol
CID 170819393
S-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl] ethanethioate
CID 170821451
1-(6-Aminopyridazin-3-yl)-3-azidopropane-1,2-diol
CID 170825539
3-Amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol
CID 170827583
N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide
CID 170829575
1-(6-Aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol
CID 171857483

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanenitrile?
The IUPAC name of 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanenitrile (CID 171869748) is 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanenitrile.
What is the SMILES notation for 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanenitrile?
The canonical SMILES for 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanenitrile is N#CC(O)C(O)c1ccc(N)nn1.
What is the InChIKey of 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanenitrile?
The InChIKey is XWHMNQSAUFYGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c8-3-5(12)7(13)4-1-2-6(9)11-10-4/h1-2,5,7,12-13H,(H2,9,11).
What are the key properties of 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanenitrile?
3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanenitrile has a molecular weight of 180.17 g/mol, XLogP of -1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanenitrile is sourced from PubChem (CID 171869748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).