N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

C9H13N3O3 — CID 43006081

IUPACN-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOCC(C)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H13N3O3/c1-6(5-15-2)10-9(14)7-3-4-8(13)12-11-7/h3-4,6H,5H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyZDNYJTPURMYABU-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.47
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 43006081) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID43006081
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOCC(C)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H13N3O3/c1-6(5-15-2)10-9(14)7-3-4-8(13)12-11-7/h3-4,6H,5H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyZDNYJTPURMYABU-UHFFFAOYSA-N
XLogP-0.47
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 43006081) is N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is COCC(C)NC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is ZDNYJTPURMYABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(5-15-2)10-9(14)7-3-4-8(13)12-11-7/h3-4,6H,5H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43006081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).