4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide

C14H17N5O2 — CID 114398355

IUPAC4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide
SMILESCN(C)c1cnn(Cc2ccc(C(=O)NN)cc2)c(=O)c1
InChIInChI=1S/C14H17N5O2/c1-18(2)12-7-13(20)19(16-8-12)9-10-3-5-11(6-4-10)14(21)17-15/h3-8H,9,15H2,1-2H3,(H,17,21)
InChIKeyLWRFHRZHIAAPHI-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.04
Rot. Bonds4

About 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide

4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide (PubChem CID 114398355) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide
PubChem CID114398355
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide
SMILESCN(C)c1cnn(Cc2ccc(C(=O)NN)cc2)c(=O)c1
InChIInChI=1S/C14H17N5O2/c1-18(2)12-7-13(20)19(16-8-12)9-10-3-5-11(6-4-10)14(21)17-15/h3-8H,9,15H2,1-2H3,(H,17,21)
InChIKeyLWRFHRZHIAAPHI-UHFFFAOYSA-N
XLogP-0.04
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide
CID 72893419
2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114396882
3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 114393488
5-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-fluorobenzoic acid
CID 107881028
4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile
CID 106788475
4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 103218894
2-[(4-bromo-3-nitrophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114395531
5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
CID 114396959
2-[(4-bromophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396920
2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396924
2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396977
2-[(4-amino-2-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114393483

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide?
The IUPAC name of 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide (CID 114398355) is 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide.
What is the SMILES notation for 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide?
The canonical SMILES for 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide is CN(C)c1cnn(Cc2ccc(C(=O)NN)cc2)c(=O)c1.
What is the InChIKey of 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide?
The InChIKey is LWRFHRZHIAAPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-18(2)12-7-13(20)19(16-8-12)9-10-3-5-11(6-4-10)14(21)17-15/h3-8H,9,15H2,1-2H3,(H,17,21).
What are the key properties of 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide?
4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide has a molecular weight of 287.32 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide is sourced from PubChem (CID 114398355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).