5,6-dimethyl-3-piperazin-1-ylpyridazine-4-carboxamide

C11H17N5O — CID 50987617

IUPAC5,6-dimethyl-3-piperazin-1-ylpyridazine-4-carboxamide
SMILESCc1nnc(N2CCNCC2)c(C(N)=O)c1C
InChIInChI=1S/C11H17N5O/c1-7-8(2)14-15-11(9(7)10(12)17)16-5-3-13-4-6-16/h13H,3-6H2,1-2H3,(H2,12,17)
InChIKeyXABSHLJFYSPNLI-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.40
Rot. Bonds2

About 5,6-dimethyl-3-piperazin-1-ylpyridazine-4-carboxamide

5,6-dimethyl-3-piperazin-1-ylpyridazine-4-carboxamide (PubChem CID 50987617) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 5,6-dimethyl-3-piperazin-1-ylpyridazine-4-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-3-piperazin-1-ylpyridazine-4-carboxamide
PubChem CID50987617
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name5,6-dimethyl-3-piperazin-1-ylpyridazine-4-carboxamide
SMILESCc1nnc(N2CCNCC2)c(C(N)=O)c1C
InChIInChI=1S/C11H17N5O/c1-7-8(2)14-15-11(9(7)10(12)17)16-5-3-13-4-6-16/h13H,3-6H2,1-2H3,(H2,12,17)
InChIKeyXABSHLJFYSPNLI-UHFFFAOYSA-N
XLogP-0.40
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-piperazin-1-ylpyridazine-4-carboxamide?
The IUPAC name of 5,6-dimethyl-3-piperazin-1-ylpyridazine-4-carboxamide (CID 50987617) is 5,6-dimethyl-3-piperazin-1-ylpyridazine-4-carboxamide.
What is the SMILES notation for 5,6-dimethyl-3-piperazin-1-ylpyridazine-4-carboxamide?
The canonical SMILES for 5,6-dimethyl-3-piperazin-1-ylpyridazine-4-carboxamide is Cc1nnc(N2CCNCC2)c(C(N)=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-piperazin-1-ylpyridazine-4-carboxamide?
The InChIKey is XABSHLJFYSPNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-8(2)14-15-11(9(7)10(12)17)16-5-3-13-4-6-16/h13H,3-6H2,1-2H3,(H2,12,17).
What are the key properties of 5,6-dimethyl-3-piperazin-1-ylpyridazine-4-carboxamide?
5,6-dimethyl-3-piperazin-1-ylpyridazine-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-piperazin-1-ylpyridazine-4-carboxamide is sourced from PubChem (CID 50987617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).