N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C13H19N3O3 — CID 65119000

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CCCC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C13H19N3O3/c1-9-3-2-6-13(19,7-9)8-14-12(18)10-4-5-11(17)16-15-10/h4-5,9,19H,2-3,6-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyWSFMZWDKHGNCSU-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.44
Rot. Bonds3

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 65119000) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID65119000
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CCCC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C13H19N3O3/c1-9-3-2-6-13(19,7-9)8-14-12(18)10-4-5-11(17)16-15-10/h4-5,9,19H,2-3,6-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyWSFMZWDKHGNCSU-UHFFFAOYSA-N
XLogP0.44
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 65119000) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is CC1CCCC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is WSFMZWDKHGNCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-3-2-6-13(19,7-9)8-14-12(18)10-4-5-11(17)16-15-10/h4-5,9,19H,2-3,6-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 65119000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).