1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone

C9H12N4O — CID 144655820

IUPAC1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(Nc2cccnn2)C1
InChIInChI=1S/C9H12N4O/c1-7(14)13-5-8(6-13)11-9-3-2-4-10-12-9/h2-4,8H,5-6H2,1H3,(H,11,12)
InChIKeyRWZGRQUEQXMRLV-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.12
Rot. Bonds2

About 1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone

1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone (PubChem CID 144655820) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone
PubChem CID144655820
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(Nc2cccnn2)C1
InChIInChI=1S/C9H12N4O/c1-7(14)13-5-8(6-13)11-9-3-2-4-10-12-9/h2-4,8H,5-6H2,1H3,(H,11,12)
InChIKeyRWZGRQUEQXMRLV-UHFFFAOYSA-N
XLogP0.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone (CID 144655820) is 1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone is CC(=O)N1CC(Nc2cccnn2)C1.
What is the InChIKey of 1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone?
The InChIKey is RWZGRQUEQXMRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7(14)13-5-8(6-13)11-9-3-2-4-10-12-9/h2-4,8H,5-6H2,1H3,(H,11,12).
What are the key properties of 1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone?
1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone has a molecular weight of 192.22 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone is sourced from PubChem (CID 144655820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).