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

C11H14ClN3O2 — CID 54061292

IUPACethyl 3-chloro-8-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
SMILESCCOC(=O)N1Cc2cc(Cl)nnc2C(C)C1
InChIInChI=1S/C11H14ClN3O2/c1-3-17-11(16)15-5-7(2)10-8(6-15)4-9(12)13-14-10/h4,7H,3,5-6H2,1-2H3
InChIKeyLZXBCQRZIVSVJT-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.21
Rot. Bonds1

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

ethyl 3-chloro-8-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate (PubChem CID 54061292) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is ethyl 3-chloro-8-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-8-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
PubChem CID54061292
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Nameethyl 3-chloro-8-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
SMILESCCOC(=O)N1Cc2cc(Cl)nnc2C(C)C1
InChIInChI=1S/C11H14ClN3O2/c1-3-17-11(16)15-5-7(2)10-8(6-15)4-9(12)13-14-10/h4,7H,3,5-6H2,1-2H3
InChIKeyLZXBCQRZIVSVJT-UHFFFAOYSA-N
XLogP2.21
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-8-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
The IUPAC name of ethyl 3-chloro-8-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate (CID 54061292) is ethyl 3-chloro-8-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate.
What is the SMILES notation for ethyl 3-chloro-8-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
The canonical SMILES for ethyl 3-chloro-8-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate is CCOC(=O)N1Cc2cc(Cl)nnc2C(C)C1.
What is the InChIKey of ethyl 3-chloro-8-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
The InChIKey is LZXBCQRZIVSVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-3-17-11(16)15-5-7(2)10-8(6-15)4-9(12)13-14-10/h4,7H,3,5-6H2,1-2H3.
What are the key properties of ethyl 3-chloro-8-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
ethyl 3-chloro-8-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate has a molecular weight of 255.70 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-8-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate is sourced from PubChem (CID 54061292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).