N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide

C11H17N3O3 — CID 79291398

IUPACN-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C11H17N3O3/c1-11(2,17)7-13(3)10(16)8-5-6-9(15)14(4)12-8/h5-6,17H,7H2,1-4H3
InChIKeyPFXHUDQJPFEJSN-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.38
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide

N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide (PubChem CID 79291398) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide
PubChem CID79291398
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C11H17N3O3/c1-11(2,17)7-13(3)10(16)8-5-6-9(15)14(4)12-8/h5-6,17H,7H2,1-4H3
InChIKeyPFXHUDQJPFEJSN-UHFFFAOYSA-N
XLogP-0.38
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide (CID 79291398) is N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide is CN(CC(C)(C)O)C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is PFXHUDQJPFEJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2,17)7-13(3)10(16)8-5-6-9(15)14(4)12-8/h5-6,17H,7H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 79291398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).