3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one

C12H13N3O — CID 121205925

IUPAC3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one
SMILESC[C@H](Nc1ccc(=O)[nH]n1)c1ccccc1
InChIInChI=1S/C12H13N3O/c1-9(10-5-3-2-4-6-10)13-11-7-8-12(16)15-14-11/h2-9H,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyAWYGPJLGISQBQR-VIFPVBQESA-N
MW215.26 g/mol
LogP1.94
Rot. Bonds3

About 3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one

3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one (PubChem CID 121205925) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one
PubChem CID121205925
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one
SMILESC[C@H](Nc1ccc(=O)[nH]n1)c1ccccc1
InChIInChI=1S/C12H13N3O/c1-9(10-5-3-2-4-6-10)13-11-7-8-12(16)15-14-11/h2-9H,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyAWYGPJLGISQBQR-VIFPVBQESA-N
XLogP1.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-methyl-1H-pyrazol-3-yl)amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione
CID 25207351
5-nitro-N-(1-phenylethyl)pyridin-2-amine
CID 571172
N-(1-phenylethyl)-1,3-thiazol-4-amine
CID 57022691
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide
CID 113041157
5-(1-phenylethylamino)-2H-1,2,4-triazine-3-thione
CID 23412209
3-[[(1S)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one
CID 135795449
5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine
CID 142671286
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041186
2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide
CID 53054093
2-phenyl-N-[5-(1-phenylethylamino)-2-pyridinyl]acetamide
CID 113026808
4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011864
1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one
CID 10618512

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one?
The IUPAC name of 3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one (CID 121205925) is 3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one is C[C@H](Nc1ccc(=O)[nH]n1)c1ccccc1.
What is the InChIKey of 3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one?
The InChIKey is AWYGPJLGISQBQR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N3O/c1-9(10-5-3-2-4-6-10)13-11-7-8-12(16)15-14-11/h2-9H,1H3,(H,13,14)(H,15,16)/t9-/m0/s1.
What are the key properties of 3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one?
3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one has a molecular weight of 215.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one is sourced from PubChem (CID 121205925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).