N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide

C15H15ClN4O4 — CID 37349424

IUPACN'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide
SMILESCOCCn1nc(C(=O)NNC(=O)c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C15H15ClN4O4/c1-24-8-7-20-13(21)6-5-12(19-20)15(23)18-17-14(22)10-3-2-4-11(16)9-10/h2-6,9H,7-8H2,1H3,(H,17,22)(H,18,23)
InChIKeyMMOBASXDKZZXMI-UHFFFAOYSA-N
MW350.76 g/mol
LogP0.62
Rot. Bonds5

About N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide

N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide (PubChem CID 37349424) has the molecular formula C15H15ClN4O4 and a molecular weight of 350.76 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide
PubChem CID37349424
Molecular FormulaC15H15ClN4O4
Molecular Weight350.76 g/mol
Exact Mass350.08
IUPAC NameN'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide
SMILESCOCCn1nc(C(=O)NNC(=O)c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C15H15ClN4O4/c1-24-8-7-20-13(21)6-5-12(19-20)15(23)18-17-14(22)10-3-2-4-11(16)9-10/h2-6,9H,7-8H2,1H3,(H,17,22)(H,18,23)
InChIKeyMMOBASXDKZZXMI-UHFFFAOYSA-N
XLogP0.62
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 50.62
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

N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24537228
1-(2-methoxyethyl)-N'-[2-(4-methoxyphenyl)acetyl]-6-oxopyridazine-3-carbohydrazide
CID 24553901
1-(2-methoxyethyl)-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-6-oxopyridazine-3-carbohydrazide
CID 46656863
1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 35019256
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid
CID 119219316
N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24505534
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 55429869

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide (CID 37349424) is N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide is COCCn1nc(C(=O)NNC(=O)c2cccc(Cl)c2)ccc1=O.
What is the InChIKey of N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide?
The InChIKey is MMOBASXDKZZXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O4/c1-24-8-7-20-13(21)6-5-12(19-20)15(23)18-17-14(22)10-3-2-4-11(16)9-10/h2-6,9H,7-8H2,1H3,(H,17,22)(H,18,23).
What are the key properties of N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide?
N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide has a molecular weight of 350.76 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 37349424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).