3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide

C19H19N5O3 — CID 7536105

IUPAC3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide
SMILESCCCCn1nc(C(=O)NNC(=O)c2ccncc2)c2ccccc2c1=O
InChIInChI=1S/C19H19N5O3/c1-2-3-12-24-19(27)15-7-5-4-6-14(15)16(23-24)18(26)22-21-17(25)13-8-10-20-11-9-13/h4-11H,2-3,12H2,1H3,(H,21,25)(H,22,26)
InChIKeyTVRGTHZNDFYOIY-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.67
Rot. Bonds5

About 3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide

3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide (PubChem CID 7536105) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide
PubChem CID7536105
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide
SMILESCCCCn1nc(C(=O)NNC(=O)c2ccncc2)c2ccccc2c1=O
InChIInChI=1S/C19H19N5O3/c1-2-3-12-24-19(27)15-7-5-4-6-14(15)16(23-24)18(26)22-21-17(25)13-8-10-20-11-9-13/h4-11H,2-3,12H2,1H3,(H,21,25)(H,22,26)
InChIKeyTVRGTHZNDFYOIY-UHFFFAOYSA-N
XLogP1.67
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 7995124
3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 2532386
3-butyl-N'-(3-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 2513605
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide
CID 27679074
3-butyl-N'-(1H-indazole-3-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 40672341
3-butyl-4-oxo-N-pentan-3-ylphthalazine-1-carboxamide
CID 2107725
4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide
CID 32755900
N-[4-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]carbamoyl]phenyl]furan-2-carboxamide
CID 27679094
N'-(2-butylsulfanylpropanoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55923112
N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26889959
4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide
CID 60599880

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide?
The IUPAC name of 3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide (CID 7536105) is 3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide.
What is the SMILES notation for 3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide?
The canonical SMILES for 3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide is CCCCn1nc(C(=O)NNC(=O)c2ccncc2)c2ccccc2c1=O.
What is the InChIKey of 3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide?
The InChIKey is TVRGTHZNDFYOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-2-3-12-24-19(27)15-7-5-4-6-14(15)16(23-24)18(26)22-21-17(25)13-8-10-20-11-9-13/h4-11H,2-3,12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide?
3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide has a molecular weight of 365.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide is sourced from PubChem (CID 7536105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).