3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine

C12H16N6O — CID 126916846

IUPAC3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine
SMILESCc1ccc(N2CC(CNc3nc(C)no3)C2)nn1
InChIInChI=1S/C12H16N6O/c1-8-3-4-11(16-15-8)18-6-10(7-18)5-13-12-14-9(2)17-19-12/h3-4,10H,5-7H2,1-2H3,(H,13,14,17)
InChIKeyUALHWVFNNCOGDD-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.02
Rot. Bonds4

About 3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine

3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 126916846) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine
PubChem CID126916846
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine
SMILESCc1ccc(N2CC(CNc3nc(C)no3)C2)nn1
InChIInChI=1S/C12H16N6O/c1-8-3-4-11(16-15-8)18-6-10(7-18)5-13-12-14-9(2)17-19-12/h3-4,10H,5-7H2,1-2H3,(H,13,14,17)
InChIKeyUALHWVFNNCOGDD-UHFFFAOYSA-N
XLogP1.02
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine (CID 126916846) is 3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine is Cc1ccc(N2CC(CNc3nc(C)no3)C2)nn1.
What is the InChIKey of 3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is UALHWVFNNCOGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-8-3-4-11(16-15-8)18-6-10(7-18)5-13-12-14-9(2)17-19-12/h3-4,10H,5-7H2,1-2H3,(H,13,14,17).
What are the key properties of 3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine?
3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 260.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 126916846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).