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

C10H17N3O2 — CID 43420661

IUPACN-butyl-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H17N3O2/c1-3-4-7-13(2)10(15)8-5-6-9(14)12-11-8/h3-7H2,1-2H3,(H,12,14)
InChIKeyCCGYYGMADVUFKY-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.51
Rot. Bonds4

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

N-butyl-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43420661) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-butyl-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43420661
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-butyl-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H17N3O2/c1-3-4-7-13(2)10(15)8-5-6-9(14)12-11-8/h3-7H2,1-2H3,(H,12,14)
InChIKeyCCGYYGMADVUFKY-UHFFFAOYSA-N
XLogP0.51
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43420661) is N-butyl-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CCCCN(C)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-butyl-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is CCGYYGMADVUFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-4-7-13(2)10(15)8-5-6-9(14)12-11-8/h3-7H2,1-2H3,(H,12,14).
What are the key properties of N-butyl-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-butyl-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43420661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).