6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide

C16H13N5O3 — CID 78852340

IUPAC6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc[nH]1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C16H13N5O3/c22-14-9-8-13(20-21(14)11-5-2-1-3-6-11)16(24)19-18-15(23)12-7-4-10-17-12/h1-10,17H,(H,18,23)(H,19,24)
InChIKeyLFUBOCLZZWYOAR-UHFFFAOYSA-N
MW323.31 g/mol
LogP0.64
Rot. Bonds3

About 6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide

6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide (PubChem CID 78852340) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is 6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide.

Molecular Properties

Compound Name6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide
PubChem CID78852340
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Name6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc[nH]1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C16H13N5O3/c22-14-9-8-13(20-21(14)11-5-2-1-3-6-11)16(24)19-18-15(23)12-7-4-10-17-12/h1-10,17H,(H,18,23)(H,19,24)
InChIKeyLFUBOCLZZWYOAR-UHFFFAOYSA-N
XLogP0.64
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide
CID 78861023
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 110887303
N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31900847
6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide
CID 39954188
N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020
N'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide
CID 78812955
N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31890180
N'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 55635204
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31887874
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31853823
6-oxo-1-phenyl-N-(3-pyrazol-1-ylphenyl)pyridazine-3-carboxamide
CID 55766207

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide?
The IUPAC name of 6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide (CID 78852340) is 6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide.
What is the SMILES notation for 6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide?
The canonical SMILES for 6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide is O=C(NNC(=O)c1ccc[nH]1)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of 6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide?
The InChIKey is LFUBOCLZZWYOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c22-14-9-8-13(20-21(14)11-5-2-1-3-6-11)16(24)19-18-15(23)12-7-4-10-17-12/h1-10,17H,(H,18,23)(H,19,24).
What are the key properties of 6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide?
6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide has a molecular weight of 323.31 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide is sourced from PubChem (CID 78852340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).