N-cycloheptyl-1-methyl-6-oxopyridazine-3-carboxamide

C13H19N3O2 — CID 2574206

IUPACN-cycloheptyl-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCCCC2)ccc1=O
InChIInChI=1S/C13H19N3O2/c1-16-12(17)9-8-11(15-16)13(18)14-10-6-4-2-3-5-7-10/h8-10H,2-7H2,1H3,(H,14,18)
InChIKeyFBSSRUFEUUFRKQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.23
Rot. Bonds2

About N-cycloheptyl-1-methyl-6-oxopyridazine-3-carboxamide

N-cycloheptyl-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 2574206) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cycloheptyl-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID2574206
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-cycloheptyl-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCCCC2)ccc1=O
InChIInChI=1S/C13H19N3O2/c1-16-12(17)9-8-11(15-16)13(18)14-10-6-4-2-3-5-7-10/h8-10H,2-7H2,1H3,(H,14,18)
InChIKeyFBSSRUFEUUFRKQ-UHFFFAOYSA-N
XLogP1.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-methyl-6-oxopyridazine-3-carboxamide (CID 2574206) is N-cycloheptyl-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC2CCCCCC2)ccc1=O.
What is the InChIKey of N-cycloheptyl-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is FBSSRUFEUUFRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-12(17)9-8-11(15-16)13(18)14-10-6-4-2-3-5-7-10/h8-10H,2-7H2,1H3,(H,14,18).
What are the key properties of N-cycloheptyl-1-methyl-6-oxopyridazine-3-carboxamide?
N-cycloheptyl-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 2574206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).