4-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide

C12H12N6O2 — CID 130183717

IUPAC4-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1nnc(-c2cc3c(C)c(C(N)=O)cnn3c2)o1
InChIInChI=1S/C12H12N6O2/c1-6-8(10(13)19)4-15-18-5-7(3-9(6)18)11-16-17-12(14-2)20-11/h3-5H,1-2H3,(H2,13,19)(H,14,17)
InChIKeyYZJUMNYFYVGIQA-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.83
Rot. Bonds3

About 4-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide

4-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 130183717) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 4-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID130183717
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name4-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1nnc(-c2cc3c(C)c(C(N)=O)cnn3c2)o1
InChIInChI=1S/C12H12N6O2/c1-6-8(10(13)19)4-15-18-5-7(3-9(6)18)11-16-17-12(14-2)20-11/h3-5H,1-2H3,(H2,13,19)(H,14,17)
InChIKeyYZJUMNYFYVGIQA-UHFFFAOYSA-N
XLogP0.83
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 130183717) is 4-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide is CNc1nnc(-c2cc3c(C)c(C(N)=O)cnn3c2)o1.
What is the InChIKey of 4-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is YZJUMNYFYVGIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c1-6-8(10(13)19)4-15-18-5-7(3-9(6)18)11-16-17-12(14-2)20-11/h3-5H,1-2H3,(H2,13,19)(H,14,17).
What are the key properties of 4-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 272.27 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 130183717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).