ethyl 3-hydrazinyl-4-phenyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate

C16H19N5O2 — CID 12582714

IUPACethyl 3-hydrazinyl-4-phenyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
SMILESCCOC(=O)N1CCc2nnc(NN)c(-c3ccccc3)c2C1
InChIInChI=1S/C16H19N5O2/c1-2-23-16(22)21-9-8-13-12(10-21)14(15(18-17)20-19-13)11-6-4-3-5-7-11/h3-7H,2,8-10,17H2,1H3,(H,18,20)
InChIKeyQQNIWICCHXJLBI-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.94
Rot. Bonds3

About ethyl 3-hydrazinyl-4-phenyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate

ethyl 3-hydrazinyl-4-phenyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate (PubChem CID 12582714) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is ethyl 3-hydrazinyl-4-phenyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydrazinyl-4-phenyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
PubChem CID12582714
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Nameethyl 3-hydrazinyl-4-phenyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
SMILESCCOC(=O)N1CCc2nnc(NN)c(-c3ccccc3)c2C1
InChIInChI=1S/C16H19N5O2/c1-2-23-16(22)21-9-8-13-12(10-21)14(15(18-17)20-19-13)11-6-4-3-5-7-11/h3-7H,2,8-10,17H2,1H3,(H,18,20)
InChIKeyQQNIWICCHXJLBI-UHFFFAOYSA-N
XLogP1.94
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-amino-3-cyano-6-ethoxycarbonyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)phenoxy]acetic acid
CID 171388136
ethyl 8-[(2-ethoxy-2-oxoethyl)amino]-5-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 25013883
ethyl 2-amino-3-cyano-4-(4-propan-2-yloxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;formic acid
CID 171329823
ethyl 8-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 114523491
3-ethoxycarbonyl-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-11-carboxylic acid
CID 152744887
ethyl 2-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetate
CID 23476159
benzyl 3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 137379852
ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate
CID 10782569
ethyl 11-(hydroxymethyl)-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carboxylate
CID 54532612
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
butyl 2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 72863884
ethyl 3-[(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6-carbonyl)amino]propanoate
CID 154571625

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydrazinyl-4-phenyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
The IUPAC name of ethyl 3-hydrazinyl-4-phenyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate (CID 12582714) is ethyl 3-hydrazinyl-4-phenyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate.
What is the SMILES notation for ethyl 3-hydrazinyl-4-phenyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
The canonical SMILES for ethyl 3-hydrazinyl-4-phenyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate is CCOC(=O)N1CCc2nnc(NN)c(-c3ccccc3)c2C1.
What is the InChIKey of ethyl 3-hydrazinyl-4-phenyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
The InChIKey is QQNIWICCHXJLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-2-23-16(22)21-9-8-13-12(10-21)14(15(18-17)20-19-13)11-6-4-3-5-7-11/h3-7H,2,8-10,17H2,1H3,(H,18,20).
What are the key properties of ethyl 3-hydrazinyl-4-phenyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
ethyl 3-hydrazinyl-4-phenyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydrazinyl-4-phenyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate is sourced from PubChem (CID 12582714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).