N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H19N3O2 — CID 4881394

IUPACN-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC1CCC(NC(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C12H19N3O2/c1-8-2-4-9(5-3-8)13-12(17)10-6-7-11(16)15-14-10/h8-9H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyIAEWXGOIZRWMMS-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.95
Rot. Bonds2

About N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 4881394) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID4881394
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC1CCC(NC(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C12H19N3O2/c1-8-2-4-9(5-3-8)13-12(17)10-6-7-11(16)15-14-10/h8-9H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyIAEWXGOIZRWMMS-UHFFFAOYSA-N
XLogP0.95
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 79395899
N-(1-methyl-5-oxopyrrolidin-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110745998
N-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110823113
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60725274
N-cyclohexyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467692
N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60730194
N-(2-cyclopentylethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60734317
N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45186564
N-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 176506207
N-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115600332
2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
CID 61261887
(2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
CID 127296472

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 4881394) is N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC1CCC(NC(=O)C2=NNC(=O)CC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is IAEWXGOIZRWMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-2-4-9(5-3-8)13-12(17)10-6-7-11(16)15-14-10/h8-9H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 4881394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).