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

C9H13N3O3 — CID 42443195

IUPACN-(2-methoxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C9H13N3O3/c1-12-8(13)4-3-7(11-12)9(14)10-5-6-15-2/h3-4H,5-6H2,1-2H3,(H,10,14)
InChIKeyQGECMSKTCVMIDO-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.84
Rot. Bonds4

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

N-(2-methoxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 42443195) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID42443195
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(2-methoxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C9H13N3O3/c1-12-8(13)4-3-7(11-12)9(14)10-5-6-15-2/h3-4H,5-6H2,1-2H3,(H,10,14)
InChIKeyQGECMSKTCVMIDO-UHFFFAOYSA-N
XLogP-0.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 42443195) is N-(2-methoxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide is COCCNC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is QGECMSKTCVMIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-12-8(13)4-3-7(11-12)9(14)10-5-6-15-2/h3-4H,5-6H2,1-2H3,(H,10,14).
What are the key properties of N-(2-methoxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(2-methoxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42443195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).