N-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C12H21N3O3 — CID 61245786

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C12H21N3O3/c1-8(2)6-9(7-16)13-12(18)10-4-5-11(17)15(3)14-10/h8-9,16H,4-7H2,1-3H3,(H,13,18)
InChIKeyZLYCVOZOIODYID-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.12
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 61245786) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID61245786
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C12H21N3O3/c1-8(2)6-9(7-16)13-12(18)10-4-5-11(17)15(3)14-10/h8-9,16H,4-7H2,1-3H3,(H,13,18)
InChIKeyZLYCVOZOIODYID-UHFFFAOYSA-N
XLogP0.12
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 61245786) is N-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC(C)CC(CO)NC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ZLYCVOZOIODYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(2)6-9(7-16)13-12(18)10-4-5-11(17)15(3)14-10/h8-9,16H,4-7H2,1-3H3,(H,13,18).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 61245786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).