methyl 1-ethyl-6-oxopyridazine-4-carboxylate

C8H10N2O3 — CID 155228048

IUPACmethyl 1-ethyl-6-oxopyridazine-4-carboxylate
SMILESCCn1ncc(C(=O)OC)cc1=O
InChIInChI=1S/C8H10N2O3/c1-3-10-7(11)4-6(5-9-10)8(12)13-2/h4-5H,3H2,1-2H3
InChIKeyOSHWEBKBSCGHGZ-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.05
Rot. Bonds2

About methyl 1-ethyl-6-oxopyridazine-4-carboxylate

methyl 1-ethyl-6-oxopyridazine-4-carboxylate (PubChem CID 155228048) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 1-ethyl-6-oxopyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-6-oxopyridazine-4-carboxylate
PubChem CID155228048
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 1-ethyl-6-oxopyridazine-4-carboxylate
SMILESCCn1ncc(C(=O)OC)cc1=O
InChIInChI=1S/C8H10N2O3/c1-3-10-7(11)4-6(5-9-10)8(12)13-2/h4-5H,3H2,1-2H3
InChIKeyOSHWEBKBSCGHGZ-UHFFFAOYSA-N
XLogP0.05
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-6-oxopyridazine-4-carboxylate?
The IUPAC name of methyl 1-ethyl-6-oxopyridazine-4-carboxylate (CID 155228048) is methyl 1-ethyl-6-oxopyridazine-4-carboxylate.
What is the SMILES notation for methyl 1-ethyl-6-oxopyridazine-4-carboxylate?
The canonical SMILES for methyl 1-ethyl-6-oxopyridazine-4-carboxylate is CCn1ncc(C(=O)OC)cc1=O.
What is the InChIKey of methyl 1-ethyl-6-oxopyridazine-4-carboxylate?
The InChIKey is OSHWEBKBSCGHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-10-7(11)4-6(5-9-10)8(12)13-2/h4-5H,3H2,1-2H3.
What are the key properties of methyl 1-ethyl-6-oxopyridazine-4-carboxylate?
methyl 1-ethyl-6-oxopyridazine-4-carboxylate has a molecular weight of 182.18 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-6-oxopyridazine-4-carboxylate is sourced from PubChem (CID 155228048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).