3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide

C17H12F3N5O4 — CID 24608336

IUPAC3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2c1=O
InChIInChI=1S/C17H12F3N5O4/c1-25-16(29)9-5-3-2-4-8(9)12(24-25)15(28)23-22-14(27)10-6-7-11(17(18,19)20)21-13(10)26/h2-7H,1H3,(H,21,26)(H,22,27)(H,23,28)
InChIKeyFCFOQWWXEOJFNB-UHFFFAOYSA-N
MW407.31 g/mol
LogP0.72
Rot. Bonds2

About 3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide

3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide (PubChem CID 24608336) has the molecular formula C17H12F3N5O4 and a molecular weight of 407.31 g/mol. Its IUPAC name is 3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide
PubChem CID24608336
Molecular FormulaC17H12F3N5O4
Molecular Weight407.31 g/mol
Exact Mass407.08
IUPAC Name3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2c1=O
InChIInChI=1S/C17H12F3N5O4/c1-25-16(29)9-5-3-2-4-8(9)12(24-25)15(28)23-22-14(27)10-6-7-11(17(18,19)20)21-13(10)26/h2-7H,1H3,(H,21,26)(H,22,27)(H,23,28)
InChIKeyFCFOQWWXEOJFNB-UHFFFAOYSA-N
XLogP0.72
TPSA125.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide 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-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide
CID 60520729
3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 18075195
3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
CID 7750621
N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 51195423
N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane
CID 155571822
N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7948525
3-methyl-N'-(4-methylsulfonylbenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 26873192
N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 24654572
methyl 2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 4812601
3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide
CID 42908214
N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2674870
N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide
CID 51552973

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide?
The IUPAC name of 3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide (CID 24608336) is 3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide.
What is the SMILES notation for 3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide?
The canonical SMILES for 3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide is Cn1nc(C(=O)NNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide?
The InChIKey is FCFOQWWXEOJFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O4/c1-25-16(29)9-5-3-2-4-8(9)12(24-25)15(28)23-22-14(27)10-6-7-11(17(18,19)20)21-13(10)26/h2-7H,1H3,(H,21,26)(H,22,27)(H,23,28).
What are the key properties of 3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide?
3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide has a molecular weight of 407.31 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide is sourced from PubChem (CID 24608336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).