N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide

C14H13ClN4O3 — CID 51163217

IUPACN'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C14H13ClN4O3/c1-19-13(21)7-6-11(18-19)14(22)17-16-12(20)8-9-2-4-10(15)5-3-9/h2-7H,8H2,1H3,(H,16,20)(H,17,22)
InChIKeyLHJXEDANZUQNIE-UHFFFAOYSA-N
MW320.74 g/mol
LogP0.44
Rot. Bonds3

About N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide

N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide (PubChem CID 51163217) has the molecular formula C14H13ClN4O3 and a molecular weight of 320.74 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide
PubChem CID51163217
Molecular FormulaC14H13ClN4O3
Molecular Weight320.74 g/mol
Exact Mass320.07
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C14H13ClN4O3/c1-19-13(21)7-6-11(18-19)14(22)17-16-12(20)8-9-2-4-10(15)5-3-9/h2-7H,8H2,1H3,(H,16,20)(H,17,22)
InChIKeyLHJXEDANZUQNIE-UHFFFAOYSA-N
XLogP0.44
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-N'-[2-(4-methoxyphenyl)acetyl]-6-oxopyridazine-3-carbohydrazide
CID 24553901
N'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
CID 51145335
2-(4-chlorophenyl)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 120977741
N-[5-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139521986
N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 155153066
N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 47111526
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
N'-(2-chloroacetyl)-2-(4-chlorophenyl)acetohydrazide
CID 82121554
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
CID 26907068
2-methyl-3-[4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 120540952
N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
CID 47116225

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide (CID 51163217) is N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide is Cn1nc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide?
The InChIKey is LHJXEDANZUQNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3/c1-19-13(21)7-6-11(18-19)14(22)17-16-12(20)8-9-2-4-10(15)5-3-9/h2-7H,8H2,1H3,(H,16,20)(H,17,22).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide has a molecular weight of 320.74 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 51163217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).