2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one

C16H21N3O — CID 95122748

IUPAC2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one
SMILESCC[C@@H](C)NCCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C16H21N3O/c1-3-13(2)17-11-12-19-16(20)10-9-15(18-19)14-7-5-4-6-8-14/h4-10,13,17H,3,11-12H2,1-2H3/t13-/m1/s1
InChIKeyACYSHRQEOAAARQ-CYBMUJFWSA-N
MW271.36 g/mol
LogP2.30
Rot. Bonds6

About 2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one

2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one (PubChem CID 95122748) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one
PubChem CID95122748
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one
SMILESCC[C@@H](C)NCCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C16H21N3O/c1-3-13(2)17-11-12-19-16(20)10-9-15(18-19)14-7-5-4-6-8-14/h4-10,13,17H,3,11-12H2,1-2H3/t13-/m1/s1
InChIKeyACYSHRQEOAAARQ-CYBMUJFWSA-N
XLogP2.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one
CID 13103478
2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 18569765
1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea
CID 71317796
N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885644
1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea
CID 71317801
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163
2-ethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72931856
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 41241318
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 18569617
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
N-butan-2-yl-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55830035

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one (CID 95122748) is 2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one is CC[C@@H](C)NCCn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one?
The InChIKey is ACYSHRQEOAAARQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-13(2)17-11-12-19-16(20)10-9-15(18-19)14-7-5-4-6-8-14/h4-10,13,17H,3,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one?
2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one has a molecular weight of 271.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 95122748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).