[2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate

C13H15N3O3 — CID 75391757

IUPAC[2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate
SMILESC=CCN(CC=C)C(=O)COC(=O)c1ccnnc1
InChIInChI=1S/C13H15N3O3/c1-3-7-16(8-4-2)12(17)10-19-13(18)11-5-6-14-15-9-11/h3-6,9H,1-2,7-8,10H2
InChIKeySVMZUXHRRZSYSU-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.83
Rot. Bonds7

About [2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate (PubChem CID 75391757) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate
PubChem CID75391757
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate
SMILESC=CCN(CC=C)C(=O)COC(=O)c1ccnnc1
InChIInChI=1S/C13H15N3O3/c1-3-7-16(8-4-2)12(17)10-19-13(18)11-5-6-14-15-9-11/h3-6,9H,1-2,7-8,10H2
InChIKeySVMZUXHRRZSYSU-UHFFFAOYSA-N
XLogP0.83
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl pyridazine-4-carboxylate;hydron
CID 174586916
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 8902541
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate
CID 55338942
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 55377471
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101092
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 55307562
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55367310
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
CID 16514948
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 55311314
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974292
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 7990123
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 7738681

Frequently Asked Questions

What is the IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate (CID 75391757) is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate is C=CCN(CC=C)C(=O)COC(=O)c1ccnnc1.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate?
The InChIKey is SVMZUXHRRZSYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-7-16(8-4-2)12(17)10-19-13(18)11-5-6-14-15-9-11/h3-6,9H,1-2,7-8,10H2.
What are the key properties of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate?
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 0.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate is sourced from PubChem (CID 75391757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).