N-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide

C9H13N3O3 — CID 30532647

IUPACN-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H13N3O3/c1-15-6-2-5-10-9(14)7-3-4-8(13)12-11-7/h3-4H,2,5-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyAROSUJBOZFFMSB-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.46
Rot. Bonds5

About N-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 30532647) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID30532647
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H13N3O3/c1-15-6-2-5-10-9(14)7-3-4-8(13)12-11-7/h3-4H,2,5-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyAROSUJBOZFFMSB-UHFFFAOYSA-N
XLogP-0.46
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 30532647) is N-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide is COCCCNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is AROSUJBOZFFMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-15-6-2-5-10-9(14)7-3-4-8(13)12-11-7/h3-4H,2,5-6H2,1H3,(H,10,14)(H,12,13).
What are the key properties of N-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 30532647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).