hydrazine;4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-3,5-dicarboxylic acid;hydrate

C18H19N5O7 — CID 161433795

IUPAChydrazine;4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-3,5-dicarboxylic acid;hydrate
SMILESNN.O.O=C(O)C1=NNC(c2ccccc2)=C(C(=O)O)C1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H13N3O6.H4N2.H2O/c22-17(23)14-13(11-7-4-8-12(9-11)21(26)27)16(18(24)25)20-19-15(14)10-5-2-1-3-6-10;1-2;/h1-9,13,19H,(H,22,23)(H,24,25);1-2H2;1H2
InChIKeyULKOVOGAIKFDBB-UHFFFAOYSA-N
MW417.38 g/mol
LogP0.21
Rot. Bonds5

About hydrazine;4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-3,5-dicarboxylic acid;hydrate

hydrazine;4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-3,5-dicarboxylic acid;hydrate (PubChem CID 161433795) has the molecular formula C18H19N5O7 and a molecular weight of 417.38 g/mol. Its IUPAC name is hydrazine;4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-3,5-dicarboxylic acid;hydrate.

Molecular Properties

Compound Namehydrazine;4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-3,5-dicarboxylic acid;hydrate
PubChem CID161433795
Molecular FormulaC18H19N5O7
Molecular Weight417.38 g/mol
Exact Mass417.13
IUPAC Namehydrazine;4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-3,5-dicarboxylic acid;hydrate
SMILESNN.O.O=C(O)C1=NNC(c2ccccc2)=C(C(=O)O)C1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H13N3O6.H4N2.H2O/c22-17(23)14-13(11-7-4-8-12(9-11)21(26)27)16(18(24)25)20-19-15(14)10-5-2-1-3-6-10;1-2;/h1-9,13,19H,(H,22,23)(H,24,25);1-2H2;1H2
InChIKeyULKOVOGAIKFDBB-UHFFFAOYSA-N
XLogP0.21
TPSA225.67 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 50.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-4-(3-nitrophenyl)-1,4-dihydropyridazine-3,5-dicarboxylic acid
CID 21163002
methyl 3-ethyl-4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-5-carboxylate
CID 70550257
diethyl 6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridazine-3,5-dicarboxylate
CID 70576892
2-amino-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 21486008
(4S)-2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 141094935
3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole
CID 100924951
1-[(4S)-4-(3-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
CID 11930657
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
(4S)-5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
CID 32627449
[(4S,5R)-5-(3-nitrophenyl)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone
CID 139221421
1-amino-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid
CID 141094936
2,6-dimethyl-4-(3-nitrophenyl)-1-(4-phenylbut-3-enyl)-4H-pyridine-3,5-dicarboxylic acid
CID 67937597

Frequently Asked Questions

What is the IUPAC name of hydrazine;4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-3,5-dicarboxylic acid;hydrate?
The IUPAC name of hydrazine;4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-3,5-dicarboxylic acid;hydrate (CID 161433795) is hydrazine;4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-3,5-dicarboxylic acid;hydrate.
What is the SMILES notation for hydrazine;4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-3,5-dicarboxylic acid;hydrate?
The canonical SMILES for hydrazine;4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-3,5-dicarboxylic acid;hydrate is NN.O.O=C(O)C1=NNC(c2ccccc2)=C(C(=O)O)C1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of hydrazine;4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-3,5-dicarboxylic acid;hydrate?
The InChIKey is ULKOVOGAIKFDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O6.H4N2.H2O/c22-17(23)14-13(11-7-4-8-12(9-11)21(26)27)16(18(24)25)20-19-15(14)10-5-2-1-3-6-10;1-2;/h1-9,13,19H,(H,22,23)(H,24,25);1-2H2;1H2.
What are the key properties of hydrazine;4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-3,5-dicarboxylic acid;hydrate?
hydrazine;4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-3,5-dicarboxylic acid;hydrate has a molecular weight of 417.38 g/mol, XLogP of 0.21, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridazine-3,5-dicarboxylic acid;hydrate is sourced from PubChem (CID 161433795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).