1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide

C15H18N4O2 — CID 78774773

IUPAC1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
SMILESCCCCn1nc(C(=O)NNc2ccccc2)ccc1=O
InChIInChI=1S/C15H18N4O2/c1-2-3-11-19-14(20)10-9-13(18-19)15(21)17-16-12-7-5-4-6-8-12/h4-10,16H,2-3,11H2,1H3,(H,17,21)
InChIKeySZERTUVUGFDBJE-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.80
Rot. Bonds6

About 1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide

1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide (PubChem CID 78774773) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide.

Molecular Properties

Compound Name1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
PubChem CID78774773
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
SMILESCCCCn1nc(C(=O)NNc2ccccc2)ccc1=O
InChIInChI=1S/C15H18N4O2/c1-2-3-11-19-14(20)10-9-13(18-19)15(21)17-16-12-7-5-4-6-8-12/h4-10,16H,2-3,11H2,1H3,(H,17,21)
InChIKeySZERTUVUGFDBJE-UHFFFAOYSA-N
XLogP1.80
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.80
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-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 51213919
1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 60513317
N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 51266108
1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 111471904
1-butyl-N-[(2-methylpropan-2-yl)oxy]-6-oxopyridazine-3-carboxamide
CID 82724984
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide?
The IUPAC name of 1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide (CID 78774773) is 1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide.
What is the SMILES notation for 1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide?
The canonical SMILES for 1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide is CCCCn1nc(C(=O)NNc2ccccc2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide?
The InChIKey is SZERTUVUGFDBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-3-11-19-14(20)10-9-13(18-19)15(21)17-16-12-7-5-4-6-8-12/h4-10,16H,2-3,11H2,1H3,(H,17,21).
What are the key properties of 1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide?
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide has a molecular weight of 286.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide is sourced from PubChem (CID 78774773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).