N,N-dimethyl-6-(4-oxocyclohexyl)pyridazine-3-carboxamide

C13H17N3O2 — CID 146640880

IUPACN,N-dimethyl-6-(4-oxocyclohexyl)pyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(C2CCC(=O)CC2)nn1
InChIInChI=1S/C13H17N3O2/c1-16(2)13(18)12-8-7-11(14-15-12)9-3-5-10(17)6-4-9/h7-9H,3-6H2,1-2H3
InChIKeyAYJWDHBIGKWZQO-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.41
Rot. Bonds2

About N,N-dimethyl-6-(4-oxocyclohexyl)pyridazine-3-carboxamide

N,N-dimethyl-6-(4-oxocyclohexyl)pyridazine-3-carboxamide (PubChem CID 146640880) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N,N-dimethyl-6-(4-oxocyclohexyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-(4-oxocyclohexyl)pyridazine-3-carboxamide
PubChem CID146640880
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN,N-dimethyl-6-(4-oxocyclohexyl)pyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(C2CCC(=O)CC2)nn1
InChIInChI=1S/C13H17N3O2/c1-16(2)13(18)12-8-7-11(14-15-12)9-3-5-10(17)6-4-9/h7-9H,3-6H2,1-2H3
InChIKeyAYJWDHBIGKWZQO-UHFFFAOYSA-N
XLogP1.41
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(4-oxocyclohexyl)pyridazine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-(4-oxocyclohexyl)pyridazine-3-carboxamide (CID 146640880) is N,N-dimethyl-6-(4-oxocyclohexyl)pyridazine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-(4-oxocyclohexyl)pyridazine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-(4-oxocyclohexyl)pyridazine-3-carboxamide is CN(C)C(=O)c1ccc(C2CCC(=O)CC2)nn1.
What is the InChIKey of N,N-dimethyl-6-(4-oxocyclohexyl)pyridazine-3-carboxamide?
The InChIKey is AYJWDHBIGKWZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16(2)13(18)12-8-7-11(14-15-12)9-3-5-10(17)6-4-9/h7-9H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-6-(4-oxocyclohexyl)pyridazine-3-carboxamide?
N,N-dimethyl-6-(4-oxocyclohexyl)pyridazine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(4-oxocyclohexyl)pyridazine-3-carboxamide is sourced from PubChem (CID 146640880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).