3-methyl-N'-(3-methyl-4-nitrobenzoyl)-4-oxophthalazine-1-carbohydrazide

C18H15N5O5 — CID 3953032

IUPAC3-methyl-N'-(3-methyl-4-nitrobenzoyl)-4-oxophthalazine-1-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H15N5O5/c1-10-9-11(7-8-14(10)23(27)28)16(24)19-20-17(25)15-12-5-3-4-6-13(12)18(26)22(2)21-15/h3-9H,1-2H3,(H,19,24)(H,20,25)
InChIKeyPJRCWMOQUHSQTL-UHFFFAOYSA-N
MW381.35 g/mol
LogP1.22
Rot. Bonds3

About 3-methyl-N'-(3-methyl-4-nitrobenzoyl)-4-oxophthalazine-1-carbohydrazide

3-methyl-N'-(3-methyl-4-nitrobenzoyl)-4-oxophthalazine-1-carbohydrazide (PubChem CID 3953032) has the molecular formula C18H15N5O5 and a molecular weight of 381.35 g/mol. Its IUPAC name is 3-methyl-N'-(3-methyl-4-nitrobenzoyl)-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-(3-methyl-4-nitrobenzoyl)-4-oxophthalazine-1-carbohydrazide
PubChem CID3953032
Molecular FormulaC18H15N5O5
Molecular Weight381.35 g/mol
Exact Mass381.11
IUPAC Name3-methyl-N'-(3-methyl-4-nitrobenzoyl)-4-oxophthalazine-1-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H15N5O5/c1-10-9-11(7-8-14(10)23(27)28)16(24)19-20-17(25)15-12-5-3-4-6-13(12)18(26)22(2)21-15/h3-9H,1-2H3,(H,19,24)(H,20,25)
InChIKeyPJRCWMOQUHSQTL-UHFFFAOYSA-N
XLogP1.22
TPSA136.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-(4-methylsulfonylbenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 26873192
N'-(4-chloro-3-iodobenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 60520758
3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3985310
N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide
CID 4811360
N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2710143
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2704863
3-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 9247878
N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2674870
3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
CID 7750621
N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 2483637
3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide
CID 60520729
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide
CID 7969929

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(3-methyl-4-nitrobenzoyl)-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of 3-methyl-N'-(3-methyl-4-nitrobenzoyl)-4-oxophthalazine-1-carbohydrazide (CID 3953032) is 3-methyl-N'-(3-methyl-4-nitrobenzoyl)-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-(3-methyl-4-nitrobenzoyl)-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for 3-methyl-N'-(3-methyl-4-nitrobenzoyl)-4-oxophthalazine-1-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-N'-(3-methyl-4-nitrobenzoyl)-4-oxophthalazine-1-carbohydrazide?
The InChIKey is PJRCWMOQUHSQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O5/c1-10-9-11(7-8-14(10)23(27)28)16(24)19-20-17(25)15-12-5-3-4-6-13(12)18(26)22(2)21-15/h3-9H,1-2H3,(H,19,24)(H,20,25).
What are the key properties of 3-methyl-N'-(3-methyl-4-nitrobenzoyl)-4-oxophthalazine-1-carbohydrazide?
3-methyl-N'-(3-methyl-4-nitrobenzoyl)-4-oxophthalazine-1-carbohydrazide has a molecular weight of 381.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(3-methyl-4-nitrobenzoyl)-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 3953032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).