N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide

C12H19N5O — CID 113282123

IUPACN-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC(NC)C2)nn1
InChIInChI=1S/C12H19N5O/c1-3-14-12(18)10-4-5-11(16-15-10)17-7-6-9(8-17)13-2/h4-5,9,13H,3,6-8H2,1-2H3,(H,14,18)
InChIKeyCLGQGDFPDXJOCS-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.02
Rot. Bonds4

About N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide

N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide (PubChem CID 113282123) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
PubChem CID113282123
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC(NC)C2)nn1
InChIInChI=1S/C12H19N5O/c1-3-14-12(18)10-4-5-11(16-15-10)17-7-6-9(8-17)13-2/h4-5,9,13H,3,6-8H2,1-2H3,(H,14,18)
InChIKeyCLGQGDFPDXJOCS-UHFFFAOYSA-N
XLogP0.02
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide (CID 113282123) is N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide is CCNC(=O)c1ccc(N2CCC(NC)C2)nn1.
What is the InChIKey of N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is CLGQGDFPDXJOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-14-12(18)10-4-5-11(16-15-10)17-7-6-9(8-17)13-2/h4-5,9,13H,3,6-8H2,1-2H3,(H,14,18).
What are the key properties of N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide?
N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 113282123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).