1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C8H11N3O3 — CID 43091225

IUPAC1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(N)=O)ccc1=O
InChIInChI=1S/C8H11N3O3/c1-14-5-4-11-7(12)3-2-6(10-11)8(9)13/h2-3H,4-5H2,1H3,(H2,9,13)
InChIKeyNKYQDGHOMVVFRI-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.01
Rot. Bonds4

About 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 43091225) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID43091225
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(N)=O)ccc1=O
InChIInChI=1S/C8H11N3O3/c1-14-5-4-11-7(12)3-2-6(10-11)8(9)13/h2-3H,4-5H2,1H3,(H2,9,13)
InChIKeyNKYQDGHOMVVFRI-UHFFFAOYSA-N
XLogP-1.01
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 43091225) is 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(N)=O)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is NKYQDGHOMVVFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-14-5-4-11-7(12)3-2-6(10-11)8(9)13/h2-3H,4-5H2,1H3,(H2,9,13).
What are the key properties of 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 197.19 g/mol, XLogP of -1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 43091225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).