ethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate

C10H9ClN6O3 — CID 16779162

IUPACethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate
SMILESCCOC(=O)c1nc(N)c(=O)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C10H9ClN6O3/c1-2-20-10(19)8-13-7(12)9(18)17(16-8)6-4-3-5(11)14-15-6/h3-4H,2H2,1H3,(H2,12,13,16)
InChIKeyLBCDGHFAXWVIBX-UHFFFAOYSA-N
MW296.67 g/mol
LogP-0.17
Rot. Bonds3

About ethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate

ethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate (PubChem CID 16779162) has the molecular formula C10H9ClN6O3 and a molecular weight of 296.67 g/mol. Its IUPAC name is ethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate
PubChem CID16779162
Molecular FormulaC10H9ClN6O3
Molecular Weight296.67 g/mol
Exact Mass296.04
IUPAC Nameethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate
SMILESCCOC(=O)c1nc(N)c(=O)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C10H9ClN6O3/c1-2-20-10(19)8-13-7(12)9(18)17(16-8)6-4-3-5(11)14-15-6/h3-4H,2H2,1H3,(H2,12,13,16)
InChIKeyLBCDGHFAXWVIBX-UHFFFAOYSA-N
XLogP-0.17
TPSA125.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.67
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate?
The IUPAC name of ethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate (CID 16779162) is ethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate is CCOC(=O)c1nc(N)c(=O)n(-c2ccc(Cl)nn2)n1.
What is the InChIKey of ethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate?
The InChIKey is LBCDGHFAXWVIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6O3/c1-2-20-10(19)8-13-7(12)9(18)17(16-8)6-4-3-5(11)14-15-6/h3-4H,2H2,1H3,(H2,12,13,16).
What are the key properties of ethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate?
ethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate has a molecular weight of 296.67 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate is sourced from PubChem (CID 16779162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).