6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide

C13H20N4O — CID 79099687

IUPAC6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide
SMILESCC1CCCCCC1Nc1ccc(C(N)=O)nn1
InChIInChI=1S/C13H20N4O/c1-9-5-3-2-4-6-10(9)15-12-8-7-11(13(14)18)16-17-12/h7-10H,2-6H2,1H3,(H2,14,18)(H,15,17)
InChIKeyAZXNHDALCOEXBM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds3

About 6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide

6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide (PubChem CID 79099687) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide
PubChem CID79099687
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide
SMILESCC1CCCCCC1Nc1ccc(C(N)=O)nn1
InChIInChI=1S/C13H20N4O/c1-9-5-3-2-4-6-10(9)15-12-8-7-11(13(14)18)16-17-12/h7-10H,2-6H2,1H3,(H2,14,18)(H,15,17)
InChIKeyAZXNHDALCOEXBM-UHFFFAOYSA-N
XLogP1.96
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2-METHYLCYCLOHEXANECARBONYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11338533
N-(2-adamantyl)-6-(butylamino)-5-propan-2-ylpyridazine-3-carboxamide
CID 141463726
N-(2-adamantyl)-6-(butylamino)-4-propan-2-ylpyridazine-3-carboxamide
CID 141463746
N-cyclohexyl-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide
CID 141463764
N-(1-adamantyl)-6-(butylamino)-4-propan-2-ylpyridazine-3-carboxamide
CID 141463776
6-[Cyclobutyl(methyl)amino]pyridazine-3-carboxamide
CID 75377045
N-(2-adamantyl)-6-(3-methylbutan-2-ylamino)-4-propan-2-ylpyridazine-3-carboxamide
CID 145962733
6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide
CID 141463775
6-[(4,4-Dimethylcyclohexyl)amino]pyridazine-3-carboxamide
CID 79099275
6-(6-Oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide
CID 71847340
6-[cyclobutyl(methyl)amino]-N-methylpyridazine-3-carboxamide
CID 75375755
N-(2-adamantyl)-6-(pentan-3-ylamino)-5-propan-2-ylpyridazine-3-carboxamide
CID 145961169

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide (CID 79099687) is 6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide is CC1CCCCCC1Nc1ccc(C(N)=O)nn1.
What is the InChIKey of 6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide?
The InChIKey is AZXNHDALCOEXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-5-3-2-4-6-10(9)15-12-8-7-11(13(14)18)16-17-12/h7-10H,2-6H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of 6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide?
6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 79099687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).