2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide

C15H19ClN4O3 — CID 19905297

IUPAC2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide
SMILESCC(C)N(N)C(=O)COc1ccc(C2=NNC(=O)CC2)cc1Cl
InChIInChI=1S/C15H19ClN4O3/c1-9(2)20(17)15(22)8-23-13-5-3-10(7-11(13)16)12-4-6-14(21)19-18-12/h3,5,7,9H,4,6,8,17H2,1-2H3,(H,19,21)
InChIKeyXZPLKRVZPMATSF-UHFFFAOYSA-N
MW338.80 g/mol
LogP1.44
Rot. Bonds5

About 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide

2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide (PubChem CID 19905297) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide.

Molecular Properties

Compound Name2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide
PubChem CID19905297
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC Name2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide
SMILESCC(C)N(N)C(=O)COc1ccc(C2=NNC(=O)CC2)cc1Cl
InChIInChI=1S/C15H19ClN4O3/c1-9(2)20(17)15(22)8-23-13-5-3-10(7-11(13)16)12-4-6-14(21)19-18-12/h3,5,7,9H,4,6,8,17H2,1-2H3,(H,19,21)
InChIKeyXZPLKRVZPMATSF-UHFFFAOYSA-N
XLogP1.44
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide
CID 15016355
3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 11602285
2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde
CID 59827332
4-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-2,2-dimethylbutanoic acid
CID 15016388
3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 15016354
2-[2-methyl-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid
CID 71056362
2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]acetamide
CID 11518997
[4-[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]ethyl]phenyl] 2,2-dimethylpropanoate
CID 59706599
3-[3-chloro-4-[2-[4-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]piperidin-1-yl]-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 11635098
3-[4-(3-aminopropoxy)-3-(4-methylpentan-2-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 143236938
2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-[3-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]-3-isocyanophenoxy]propyl]acetamide
CID 58833590
3-[3-chloro-4-[3-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methoxy]propoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 11713115

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide?
The IUPAC name of 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide (CID 19905297) is 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide.
What is the SMILES notation for 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide?
The canonical SMILES for 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide is CC(C)N(N)C(=O)COc1ccc(C2=NNC(=O)CC2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide?
The InChIKey is XZPLKRVZPMATSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3/c1-9(2)20(17)15(22)8-23-13-5-3-10(7-11(13)16)12-4-6-14(21)19-18-12/h3,5,7,9H,4,6,8,17H2,1-2H3,(H,19,21).
What are the key properties of 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide?
2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide has a molecular weight of 338.80 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide is sourced from PubChem (CID 19905297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).