4-oxo-3H-phthalazine-1-carbohydrazide

C9H8N4O2 — CID 916055

IUPAC4-oxo-3H-phthalazine-1-carbohydrazide
SMILESNNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C9H8N4O2/c10-11-9(15)7-5-3-1-2-4-6(5)8(14)13-12-7/h1-4H,10H2,(H,11,15)(H,13,14)
InChIKeyGCZPFBAKQFXQER-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.47
Rot. Bonds1

About 4-oxo-3H-phthalazine-1-carbohydrazide

4-oxo-3H-phthalazine-1-carbohydrazide (PubChem CID 916055) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-oxo-3H-phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-3H-phthalazine-1-carbohydrazide
PubChem CID916055
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name4-oxo-3H-phthalazine-1-carbohydrazide
SMILESNNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C9H8N4O2/c10-11-9(15)7-5-3-1-2-4-6(5)8(14)13-12-7/h1-4H,10H2,(H,11,15)(H,13,14)
InChIKeyGCZPFBAKQFXQER-UHFFFAOYSA-N
XLogP-0.47
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1(2H)-Phthalazinone
CID 8394
2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid
CID 348621
4-Phenyl-1-(2H)-phthalazinone
CID 219150
1-Hydroxy-4-methylphthalazine
CID 21103
4-Benzyl-1(2H)-phthalazinone
CID 616651
4-(aminomethyl)phthalazin-1(2H)-one
CID 816623
4-chlorophthalazin-1(2H)-one
CID 2775142
4-aminophthalazin-1(2H)-one
CID 595178
4-((Dimethylamino)methyl)-1(2H)-phthalazinone
CID 1482313
o-Toluohydrazide
CID 82110
Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate
CID 757032
N'-(1-Phenylethylidene)benzohydrazide
CID 9574244

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3H-phthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-3H-phthalazine-1-carbohydrazide (CID 916055) is 4-oxo-3H-phthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-3H-phthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-3H-phthalazine-1-carbohydrazide is NNC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-3H-phthalazine-1-carbohydrazide?
The InChIKey is GCZPFBAKQFXQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-11-9(15)7-5-3-1-2-4-6(5)8(14)13-12-7/h1-4H,10H2,(H,11,15)(H,13,14).
What are the key properties of 4-oxo-3H-phthalazine-1-carbohydrazide?
4-oxo-3H-phthalazine-1-carbohydrazide has a molecular weight of 204.19 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3H-phthalazine-1-carbohydrazide is sourced from PubChem (CID 916055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).