1-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide

C13H19N3O3 — CID 111476722

IUPAC1-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCC1CCC(O)(Cn2nc(C(N)=O)ccc2=O)CC1
InChIInChI=1S/C13H19N3O3/c1-9-4-6-13(19,7-5-9)8-16-11(17)3-2-10(15-16)12(14)18/h2-3,9,19H,4-8H2,1H3,(H2,14,18)
InChIKeyZHQKVRUEERHKPR-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.28
Rot. Bonds3

About 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide

1-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 111476722) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID111476722
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCC1CCC(O)(Cn2nc(C(N)=O)ccc2=O)CC1
InChIInChI=1S/C13H19N3O3/c1-9-4-6-13(19,7-5-9)8-16-11(17)3-2-10(15-16)12(14)18/h2-3,9,19H,4-8H2,1H3,(H2,14,18)
InChIKeyZHQKVRUEERHKPR-UHFFFAOYSA-N
XLogP0.28
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-Hydroxy-4-methylcyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 109394027
2-[(1-Hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 109394046
N-[2,2-difluoro-2-(1-hydroxycyclohexyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 138022375
N-[(1-hydroxycyclopentyl)methyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 49754476
6-[2-(1-Hydroxy-4-methylcyclohexyl)ethynyl]-2-propan-2-ylpyridazin-3-one
CID 69968395
N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55082506
N-[1-(hydroxymethyl)cyclohexyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62519875
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 62525614
1-butyl-N-[(1-hydroxycyclopentyl)methyl]-6-oxopyridazine-3-carboxamide
CID 64176693
N-[(1-hydroxycyclopentyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 64176702
N-[(1-hydroxycycloheptyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 64459508
N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 64866558

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide (CID 111476722) is 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide is CC1CCC(O)(Cn2nc(C(N)=O)ccc2=O)CC1.
What is the InChIKey of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is ZHQKVRUEERHKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-4-6-13(19,7-5-9)8-16-11(17)3-2-10(15-16)12(14)18/h2-3,9,19H,4-8H2,1H3,(H2,14,18).
What are the key properties of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide?
1-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 111476722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).