ethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-carboxylate

C16H16ClN3O3 — CID 108777112

IUPACethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2CCOc3ccc(Cl)cc32)nn1
InChIInChI=1S/C16H16ClN3O3/c1-2-22-16(21)13-4-6-15(20-19-13)18-12-7-8-23-14-5-3-10(17)9-11(12)14/h3-6,9,12H,2,7-8H2,1H3,(H,18,20)
InChIKeySZRZXBBMYBBWED-UHFFFAOYSA-N
MW333.78 g/mol
LogP3.24
Rot. Bonds4

About ethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-carboxylate

ethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-carboxylate (PubChem CID 108777112) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is ethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-carboxylate
PubChem CID108777112
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Nameethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2CCOc3ccc(Cl)cc32)nn1
InChIInChI=1S/C16H16ClN3O3/c1-2-22-16(21)13-4-6-15(20-19-13)18-12-7-8-23-14-5-3-10(17)9-11(12)14/h3-6,9,12H,2,7-8H2,1H3,(H,18,20)
InChIKeySZRZXBBMYBBWED-UHFFFAOYSA-N
XLogP3.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-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

6-[(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridazine-3-carboxamide
CID 133435707
(6-chloro-3,4-dihydro-2H-chromen-4-yl)hydrazine
CID 53403029
3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea
CID 108742260
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide
CID 108742241
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine
CID 108777137
3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide
CID 108783097
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
CID 108777152
2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742340
ethyl 4-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylpyrimidine-5-carboxylate
CID 108774226

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-carboxylate (CID 108777112) is ethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-carboxylate is CCOC(=O)c1ccc(NC2CCOc3ccc(Cl)cc32)nn1.
What is the InChIKey of ethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-carboxylate?
The InChIKey is SZRZXBBMYBBWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-2-22-16(21)13-4-6-15(20-19-13)18-12-7-8-23-14-5-3-10(17)9-11(12)14/h3-6,9,12H,2,7-8H2,1H3,(H,18,20).
What are the key properties of ethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-carboxylate?
ethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-carboxylate has a molecular weight of 333.78 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 108777112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).