1-methyl-N-(4-methylpentyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C12H21N3O2 — CID 30856039

IUPAC1-methyl-N-(4-methylpentyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)CCCNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C12H21N3O2/c1-9(2)5-4-8-13-12(17)10-6-7-11(16)15(3)14-10/h9H,4-8H2,1-3H3,(H,13,17)
InChIKeyZWXQQSSZSGUWTN-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.15
Rot. Bonds5

About 1-methyl-N-(4-methylpentyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-methyl-N-(4-methylpentyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 30856039) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-methyl-N-(4-methylpentyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylpentyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID30856039
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-methyl-N-(4-methylpentyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)CCCNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C12H21N3O2/c1-9(2)5-4-8-13-12(17)10-6-7-11(16)15(3)14-10/h9H,4-8H2,1-3H3,(H,13,17)
InChIKeyZWXQQSSZSGUWTN-UHFFFAOYSA-N
XLogP1.15
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-methyl-N-(4-methylpentyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-(4-methylpentyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 30856039) is 1-methyl-N-(4-methylpentyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methylpentyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methylpentyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC(C)CCCNC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of 1-methyl-N-(4-methylpentyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ZWXQQSSZSGUWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)5-4-8-13-12(17)10-6-7-11(16)15(3)14-10/h9H,4-8H2,1-3H3,(H,13,17).
What are the key properties of 1-methyl-N-(4-methylpentyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-methyl-N-(4-methylpentyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylpentyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 30856039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).