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

C12H19N3O3 — CID 29171657

IUPACN-(3-butoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCCCOCCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H19N3O3/c1-2-3-8-18-9-4-7-13-12(17)10-5-6-11(16)15-14-10/h5-6H,2-4,7-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyOGUMDIWOJULTSX-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.71
Rot. Bonds8

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

N-(3-butoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 29171657) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(3-butoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID29171657
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(3-butoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCCCOCCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H19N3O3/c1-2-3-8-18-9-4-7-13-12(17)10-5-6-11(16)15-14-10/h5-6H,2-4,7-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyOGUMDIWOJULTSX-UHFFFAOYSA-N
XLogP0.71
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.71
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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Related Compounds

N-[3-(dimethylamino)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 1932907
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443195
N-(3-methoxypropyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 44012303
3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one
CID 136537663
2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
CID 170266150
6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridazine-3-carboxamide
CID 36275037
N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103082670
6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazine-3-carboxamide
CID 133828796
N-ethyl-N-(1-ethylpropyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 56721184
N-(sec-butyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 44012300
N-ethyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 58742032

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 29171657) is N-(3-butoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide is CCCCOCCCNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(3-butoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is OGUMDIWOJULTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-3-8-18-9-4-7-13-12(17)10-5-6-11(16)15-14-10/h5-6H,2-4,7-9H2,1H3,(H,13,17)(H,15,16).
What are the key properties of N-(3-butoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(3-butoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 29171657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).