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

C12H19N3O3 — CID 114630465

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NC2CC(O)C2(C)C)CCC1=O
InChIInChI=1S/C12H19N3O3/c1-12(2)8(6-9(12)16)13-11(18)7-4-5-10(17)15(3)14-7/h8-9,16H,4-6H2,1-3H3,(H,13,18)
InChIKeyAJDFWNSTYLFNTC-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.13
Rot. Bonds2

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

N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 114630465) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID114630465
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NC2CC(O)C2(C)C)CCC1=O
InChIInChI=1S/C12H19N3O3/c1-12(2)8(6-9(12)16)13-11(18)7-4-5-10(17)15(3)14-7/h8-9,16H,4-6H2,1-3H3,(H,13,18)
InChIKeyAJDFWNSTYLFNTC-UHFFFAOYSA-N
XLogP-0.13
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 114630465) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NC2CC(O)C2(C)C)CCC1=O.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is AJDFWNSTYLFNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2)8(6-9(12)16)13-11(18)7-4-5-10(17)15(3)14-7/h8-9,16H,4-6H2,1-3H3,(H,13,18).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 114630465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).