(3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate

C14H14ClN3O3 — CID 67242146

IUPAC(3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate
SMILESCCn1nc(C(=O)OCc2cccc(Cl)c2)cc(N)c1=O
InChIInChI=1S/C14H14ClN3O3/c1-2-18-13(19)11(16)7-12(17-18)14(20)21-8-9-4-3-5-10(15)6-9/h3-7H,2,8,16H2,1H3
InChIKeyAQLZDPLTOKNHCA-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.86
Rot. Bonds4

About (3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate

(3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate (PubChem CID 67242146) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate
PubChem CID67242146
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name(3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate
SMILESCCn1nc(C(=O)OCc2cccc(Cl)c2)cc(N)c1=O
InChIInChI=1S/C14H14ClN3O3/c1-2-18-13(19)11(16)7-12(17-18)14(20)21-8-9-4-3-5-10(15)6-9/h3-7H,2,8,16H2,1H3
InChIKeyAQLZDPLTOKNHCA-UHFFFAOYSA-N
XLogP1.86
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-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

(3-chlorophenyl) 5-amino-1-ethylpyrazole-3-carboxylate
CID 117215464
(3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61315287
(3-chlorophenyl)methyl 4-amino-3-methylbenzoate
CID 61320679
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
(3-chlorophenyl)methyl 4-amino-5-methylthiophene-2-carboxylate
CID 61314686
(3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46659444
(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
CID 65126970
argon;(3-chlorophenyl)methyl benzoate
CID 174492322
(3-chlorophenyl)methyl 3-amino-1H-pyrazole-5-carboxylate
CID 65127067
(3-chlorophenyl)methyl 3,5-diacetamidobenzoate
CID 30097917
benzyl 1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 60546555
(3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604902

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of (3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate (CID 67242146) is (3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for (3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for (3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate is CCn1nc(C(=O)OCc2cccc(Cl)c2)cc(N)c1=O.
What is the InChIKey of (3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate?
The InChIKey is AQLZDPLTOKNHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-2-18-13(19)11(16)7-12(17-18)14(20)21-8-9-4-3-5-10(15)6-9/h3-7H,2,8,16H2,1H3.
What are the key properties of (3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate?
(3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate has a molecular weight of 307.74 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 67242146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).