6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H11N3O2 — CID 3979996

IUPAC6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2)=NN1
InChIInChI=1S/C11H11N3O2/c15-10-7-6-9(13-14-10)11(16)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,16)(H,14,15)
InChIKeyDRIOXLHJPZDNOI-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.89
Rot. Bonds2

About 6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 3979996) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID3979996
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2)=NN1
InChIInChI=1S/C11H11N3O2/c15-10-7-6-9(13-14-10)11(16)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,16)(H,14,15)
InChIKeyDRIOXLHJPZDNOI-UHFFFAOYSA-N
XLogP0.89
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Mci-186
CID 4021
4,5-dihydro-6-methyl-2-phenylpyridazin-3(2H)-one
CID 78330
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CID 730470
N-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 939768
1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one
CID 608697
N-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide
CID 2814945
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498
N-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 16348411
2-(4-Aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one hydrochloride
CID 3017166
2-Phenyl-5-(prop-1-en-2-yl)-2,4-dihydro-3H-pyrazol-3-one
CID 13415382
N-[4-[(E)-2-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)ethenyl]phenyl]acetamide
CID 13854249
N-[4-[(E)-2-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)ethenyl]phenyl]acetamide
CID 13854250

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 3979996) is 6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)Nc2ccccc2)=NN1.
What is the InChIKey of 6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is DRIOXLHJPZDNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-10-7-6-9(13-14-10)11(16)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,16)(H,14,15).
What are the key properties of 6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 3979996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).