N-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide

C11H17N3O3 — CID 65114731

IUPACN-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCC(C)(O)CNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C11H17N3O3/c1-4-11(2,17)7-12-10(16)8-5-6-9(15)14(3)13-8/h5-6,17H,4,7H2,1-3H3,(H,12,16)
InChIKeyPQQLUTUBWGWICB-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.33
Rot. Bonds4

About N-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 65114731) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID65114731
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCC(C)(O)CNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C11H17N3O3/c1-4-11(2,17)7-12-10(16)8-5-6-9(15)14(3)13-8/h5-6,17H,4,7H2,1-3H3,(H,12,16)
InChIKeyPQQLUTUBWGWICB-UHFFFAOYSA-N
XLogP-0.33
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 65114731) is N-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide is CCC(C)(O)CNC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is PQQLUTUBWGWICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-11(2,17)7-12-10(16)8-5-6-9(15)14(3)13-8/h5-6,17H,4,7H2,1-3H3,(H,12,16).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 65114731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).