1-methyl-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide

C11H17N3O2 — CID 31334186

IUPAC1-methyl-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C11H17N3O2/c1-8(2)6-7-12-11(16)9-4-5-10(15)14(3)13-9/h4-5,8H,6-7H2,1-3H3,(H,12,16)
InChIKeyVPDFPMJKHPKOAB-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.56
Rot. Bonds4

About 1-methyl-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide

1-methyl-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide (PubChem CID 31334186) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-methyl-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide
PubChem CID31334186
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-methyl-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C11H17N3O2/c1-8(2)6-7-12-11(16)9-4-5-10(15)14(3)13-9/h4-5,8H,6-7H2,1-3H3,(H,12,16)
InChIKeyVPDFPMJKHPKOAB-UHFFFAOYSA-N
XLogP0.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide (CID 31334186) is 1-methyl-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide is CC(C)CCNC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of 1-methyl-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is VPDFPMJKHPKOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(2)6-7-12-11(16)9-4-5-10(15)14(3)13-9/h4-5,8H,6-7H2,1-3H3,(H,12,16).
What are the key properties of 1-methyl-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide?
1-methyl-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 31334186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).