5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one

C10H15ClN4O — CID 114445742

IUPAC5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CC(N)C2)c(Cl)c1=O
InChIInChI=1S/C10H15ClN4O/c1-2-3-15-10(16)9(11)8(4-13-15)14-5-7(12)6-14/h4,7H,2-3,5-6,12H2,1H3
InChIKeyRSYXTPIRZFFXOT-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.45
Rot. Bonds3

About 5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one

5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one (PubChem CID 114445742) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one
PubChem CID114445742
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CC(N)C2)c(Cl)c1=O
InChIInChI=1S/C10H15ClN4O/c1-2-3-15-10(16)9(11)8(4-13-15)14-5-7(12)6-14/h4,7H,2-3,5-6,12H2,1H3
InChIKeyRSYXTPIRZFFXOT-UHFFFAOYSA-N
XLogP0.45
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one
CID 114444360
4-chloro-5-[4-(ethylamino)piperidin-1-yl]-2-propylpyridazin-3-one
CID 114443611
5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one
CID 114446592
5-[3-(aminomethyl)piperidin-1-yl]-2-butyl-4-chloropyridazin-3-one
CID 114444353
2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445759
5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 114443792
5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one
CID 114446594
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
CID 114446133
5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one
CID 114446229
5-(3-amino-4-methylpiperidin-1-yl)-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114445359
5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-4-chloro-2-propylpyridazin-3-one
CID 104922079
5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one
CID 114446601

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one?
The IUPAC name of 5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one (CID 114445742) is 5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one.
What is the SMILES notation for 5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one?
The canonical SMILES for 5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one is CCCn1ncc(N2CC(N)C2)c(Cl)c1=O.
What is the InChIKey of 5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one?
The InChIKey is RSYXTPIRZFFXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-2-3-15-10(16)9(11)8(4-13-15)14-5-7(12)6-14/h4,7H,2-3,5-6,12H2,1H3.
What are the key properties of 5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one?
5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one has a molecular weight of 242.71 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one is sourced from PubChem (CID 114445742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).