1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide

C16H14N4O4 — CID 51166600

IUPAC1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccc(=O)n(C)n2)oc2ccccc12
InChIInChI=1S/C16H14N4O4/c1-9-10-5-3-4-6-12(10)24-14(9)16(23)18-17-15(22)11-7-8-13(21)20(2)19-11/h3-8H,1-2H3,(H,17,22)(H,18,23)
InChIKeyRQSOTMYXSQPARX-UHFFFAOYSA-N
MW326.31 g/mol
LogP0.91
Rot. Bonds2

About 1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide

1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide (PubChem CID 51166600) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide
PubChem CID51166600
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccc(=O)n(C)n2)oc2ccccc12
InChIInChI=1S/C16H14N4O4/c1-9-10-5-3-4-6-12(10)24-14(9)16(23)18-17-15(22)11-7-8-13(21)20(2)19-11/h3-8H,1-2H3,(H,17,22)(H,18,23)
InChIKeyRQSOTMYXSQPARX-UHFFFAOYSA-N
XLogP0.91
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-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-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide
CID 24588173
3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide
CID 51177211
5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 24665378
N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 24607746
5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 37338452
N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 3891002
3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide
CID 102603809
5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 17418605
1-(3,5-dimethylphenyl)-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 8001022
N'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide
CID 55590636
N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685439

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide?
The IUPAC name of 1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide (CID 51166600) is 1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide?
The canonical SMILES for 1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccc(=O)n(C)n2)oc2ccccc12.
What is the InChIKey of 1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide?
The InChIKey is RQSOTMYXSQPARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-9-10-5-3-4-6-12(10)24-14(9)16(23)18-17-15(22)11-7-8-13(21)20(2)19-11/h3-8H,1-2H3,(H,17,22)(H,18,23).
What are the key properties of 1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide?
1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide has a molecular weight of 326.31 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 51166600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).