6-[(4,4-dimethylcyclohexyl)amino]pyridazine-3-carboxamide

C13H20N4O — CID 79099275

IUPAC6-[(4,4-dimethylcyclohexyl)amino]pyridazine-3-carboxamide
SMILESCC1(C)CCC(Nc2ccc(C(N)=O)nn2)CC1
InChIInChI=1S/C13H20N4O/c1-13(2)7-5-9(6-8-13)15-11-4-3-10(12(14)18)16-17-11/h3-4,9H,5-8H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyGNHGWIXKFIDKNW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds3

About 6-[(4,4-dimethylcyclohexyl)amino]pyridazine-3-carboxamide

6-[(4,4-dimethylcyclohexyl)amino]pyridazine-3-carboxamide (PubChem CID 79099275) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-[(4,4-dimethylcyclohexyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4,4-dimethylcyclohexyl)amino]pyridazine-3-carboxamide
PubChem CID79099275
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name6-[(4,4-dimethylcyclohexyl)amino]pyridazine-3-carboxamide
SMILESCC1(C)CCC(Nc2ccc(C(N)=O)nn2)CC1
InChIInChI=1S/C13H20N4O/c1-13(2)7-5-9(6-8-13)15-11-4-3-10(12(14)18)16-17-11/h3-4,9H,5-8H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyGNHGWIXKFIDKNW-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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Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-dimethylcyclohexyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(4,4-dimethylcyclohexyl)amino]pyridazine-3-carboxamide (CID 79099275) is 6-[(4,4-dimethylcyclohexyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4,4-dimethylcyclohexyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4,4-dimethylcyclohexyl)amino]pyridazine-3-carboxamide is CC1(C)CCC(Nc2ccc(C(N)=O)nn2)CC1.
What is the InChIKey of 6-[(4,4-dimethylcyclohexyl)amino]pyridazine-3-carboxamide?
The InChIKey is GNHGWIXKFIDKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-13(2)7-5-9(6-8-13)15-11-4-3-10(12(14)18)16-17-11/h3-4,9H,5-8H2,1-2H3,(H2,14,18)(H,15,17).
What are the key properties of 6-[(4,4-dimethylcyclohexyl)amino]pyridazine-3-carboxamide?
6-[(4,4-dimethylcyclohexyl)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-[(4,4-dimethylcyclohexyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 79099275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).