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

C13H19N3O2 — CID 103612541

IUPACN-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CCCC(N(C)C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C13H19N3O2/c1-9-4-3-5-10(8-9)16(2)13(18)11-6-7-12(17)15-14-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyFUJJHFGLLAHCQA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.42
Rot. Bonds2

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

N-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103612541) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103612541
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CCCC(N(C)C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C13H19N3O2/c1-9-4-3-5-10(8-9)16(2)13(18)11-6-7-12(17)15-14-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyFUJJHFGLLAHCQA-UHFFFAOYSA-N
XLogP1.42
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103612541) is N-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide is CC1CCCC(N(C)C(=O)c2ccc(=O)[nH]n2)C1.
What is the InChIKey of N-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is FUJJHFGLLAHCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-4-3-5-10(8-9)16(2)13(18)11-6-7-12(17)15-14-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103612541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).