N-butyl-4-oxo-1H-pyridazine-6-carboxamide

C9H13N3O2 — CID 172999728

IUPACN-butyl-4-oxo-1H-pyridazine-6-carboxamide
SMILESCCCCNC(=O)c1cc(=O)cn[nH]1
InChIInChI=1S/C9H13N3O2/c1-2-3-4-10-9(14)8-5-7(13)6-11-12-8/h5-6H,2-4H2,1H3,(H,10,14)(H,12,13)
InChIKeyMYXVELQNVHMZPW-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.30
Rot. Bonds4

About N-butyl-4-oxo-1H-pyridazine-6-carboxamide

N-butyl-4-oxo-1H-pyridazine-6-carboxamide (PubChem CID 172999728) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-butyl-4-oxo-1H-pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-4-oxo-1H-pyridazine-6-carboxamide
PubChem CID172999728
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-butyl-4-oxo-1H-pyridazine-6-carboxamide
SMILESCCCCNC(=O)c1cc(=O)cn[nH]1
InChIInChI=1S/C9H13N3O2/c1-2-3-4-10-9(14)8-5-7(13)6-11-12-8/h5-6H,2-4H2,1H3,(H,10,14)(H,12,13)
InChIKeyMYXVELQNVHMZPW-UHFFFAOYSA-N
XLogP0.30
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088
3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391
4-bromo-N-hexyl-1H-pyrazole-5-carboxamide
CID 19511210
N-butyl-3,5-dihydroxybenzamide
CID 91715801
3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide
CID 106233227
3-(4-chlorophenyl)-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19509334
3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide
CID 102168751
5-amino-N-butyl-2H-triazole-4-carboxamide
CID 110484769
3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide
CID 106840125

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-oxo-1H-pyridazine-6-carboxamide?
The IUPAC name of N-butyl-4-oxo-1H-pyridazine-6-carboxamide (CID 172999728) is N-butyl-4-oxo-1H-pyridazine-6-carboxamide.
What is the SMILES notation for N-butyl-4-oxo-1H-pyridazine-6-carboxamide?
The canonical SMILES for N-butyl-4-oxo-1H-pyridazine-6-carboxamide is CCCCNC(=O)c1cc(=O)cn[nH]1.
What is the InChIKey of N-butyl-4-oxo-1H-pyridazine-6-carboxamide?
The InChIKey is MYXVELQNVHMZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-3-4-10-9(14)8-5-7(13)6-11-12-8/h5-6H,2-4H2,1H3,(H,10,14)(H,12,13).
What are the key properties of N-butyl-4-oxo-1H-pyridazine-6-carboxamide?
N-butyl-4-oxo-1H-pyridazine-6-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-oxo-1H-pyridazine-6-carboxamide is sourced from PubChem (CID 172999728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).