N,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H23N3O2 — CID 43398600

IUPACN,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H23N3O2/c1-3-5-9-16(10-6-4-2)13(18)11-7-8-12(17)15-14-11/h3-10H2,1-2H3,(H,15,17)
InChIKeyAGTJFJCWMCKAHC-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.68
Rot. Bonds7

About N,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43398600) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43398600
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H23N3O2/c1-3-5-9-16(10-6-4-2)13(18)11-7-8-12(17)15-14-11/h3-10H2,1-2H3,(H,15,17)
InChIKeyAGTJFJCWMCKAHC-UHFFFAOYSA-N
XLogP1.68
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43398600) is N,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CCCCN(CCCC)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is AGTJFJCWMCKAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-5-9-16(10-6-4-2)13(18)11-7-8-12(17)15-14-11/h3-10H2,1-2H3,(H,15,17).
What are the key properties of N,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43398600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).