4-alumanyloxy-1H-pyridazin-6-one

C4H5AlN2O2 — CID 147117704

IUPAC4-alumanyloxy-1H-pyridazin-6-one
SMILESO=c1cc(O[AlH2])cn[nH]1
InChIInChI=1S/C4H4N2O2.Al.2H/c7-3-1-4(8)6-5-2-3;;;/h1-2H,(H2,6,7,8);;;/q;+1;;/p-1
InChIKeyBNTAFABGFVZNGV-UHFFFAOYSA-M
MW140.08 g/mol
LogP-1.30
Rot. Bonds1

About 4-alumanyloxy-1H-pyridazin-6-one

4-alumanyloxy-1H-pyridazin-6-one (PubChem CID 147117704) has the molecular formula C4H5AlN2O2 and a molecular weight of 140.08 g/mol. Its IUPAC name is 4-alumanyloxy-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-alumanyloxy-1H-pyridazin-6-one
PubChem CID147117704
Molecular FormulaC4H5AlN2O2
Molecular Weight140.08 g/mol
Exact Mass140.02
IUPAC Name4-alumanyloxy-1H-pyridazin-6-one
SMILESO=c1cc(O[AlH2])cn[nH]1
InChIInChI=1S/C4H4N2O2.Al.2H/c7-3-1-4(8)6-5-2-3;;;/h1-2H,(H2,6,7,8);;;/q;+1;;/p-1
InChIKeyBNTAFABGFVZNGV-UHFFFAOYSA-M
XLogP-1.30
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.08
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-alumanyloxy-1H-pyridazin-6-one?
The IUPAC name of 4-alumanyloxy-1H-pyridazin-6-one (CID 147117704) is 4-alumanyloxy-1H-pyridazin-6-one.
What is the SMILES notation for 4-alumanyloxy-1H-pyridazin-6-one?
The canonical SMILES for 4-alumanyloxy-1H-pyridazin-6-one is O=c1cc(O[AlH2])cn[nH]1.
What is the InChIKey of 4-alumanyloxy-1H-pyridazin-6-one?
The InChIKey is BNTAFABGFVZNGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N2O2.Al.2H/c7-3-1-4(8)6-5-2-3;;;/h1-2H,(H2,6,7,8);;;/q;+1;;/p-1.
What are the key properties of 4-alumanyloxy-1H-pyridazin-6-one?
4-alumanyloxy-1H-pyridazin-6-one has a molecular weight of 140.08 g/mol, XLogP of -1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-alumanyloxy-1H-pyridazin-6-one is sourced from PubChem (CID 147117704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).