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

C13H21N3O2 — CID 103754236

IUPACN-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC1(CNC(=O)C2=NNC(=O)CC2)CCCCC1
InChIInChI=1S/C13H21N3O2/c1-13(7-3-2-4-8-13)9-14-12(18)10-5-6-11(17)16-15-10/h2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyWWAJSHXAUBZDSC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.34
Rot. Bonds3

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

N-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 103754236) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID103754236
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC1(CNC(=O)C2=NNC(=O)CC2)CCCCC1
InChIInChI=1S/C13H21N3O2/c1-13(7-3-2-4-8-13)9-14-12(18)10-5-6-11(17)16-15-10/h2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyWWAJSHXAUBZDSC-UHFFFAOYSA-N
XLogP1.34
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 103754236) is N-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC1(CNC(=O)C2=NNC(=O)CC2)CCCCC1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is WWAJSHXAUBZDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(7-3-2-4-8-13)9-14-12(18)10-5-6-11(17)16-15-10/h2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103754236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).