6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide

C13H18ClN3O — CID 54949412

IUPAC6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide
SMILESCC1CCCC(N(C)C(=O)c2ccc(Cl)nn2)C1
InChIInChI=1S/C13H18ClN3O/c1-9-4-3-5-10(8-9)17(2)13(18)11-6-7-12(14)16-15-11/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyUUEAWYLZLCOHJW-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.78
Rot. Bonds2

About 6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide

6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide (PubChem CID 54949412) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide
PubChem CID54949412
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide
SMILESCC1CCCC(N(C)C(=O)c2ccc(Cl)nn2)C1
InChIInChI=1S/C13H18ClN3O/c1-9-4-3-5-10(8-9)17(2)13(18)11-6-7-12(14)16-15-11/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyUUEAWYLZLCOHJW-UHFFFAOYSA-N
XLogP2.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide (CID 54949412) is 6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide is CC1CCCC(N(C)C(=O)c2ccc(Cl)nn2)C1.
What is the InChIKey of 6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide?
The InChIKey is UUEAWYLZLCOHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-9-4-3-5-10(8-9)17(2)13(18)11-6-7-12(14)16-15-11/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide?
6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide is sourced from PubChem (CID 54949412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).