3-(1-methylcyclobutyl)-5-(6-methylpyridazin-4-yl)-1,2,4-oxadiazole

C12H14N4O — CID 136559665

IUPAC3-(1-methylcyclobutyl)-5-(6-methylpyridazin-4-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(C3(C)CCC3)no2)cnn1
InChIInChI=1S/C12H14N4O/c1-8-6-9(7-13-15-8)10-14-11(16-17-10)12(2)4-3-5-12/h6-7H,3-5H2,1-2H3
InChIKeyNHOLTJPHSYCDNM-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.28
Rot. Bonds2

About 3-(1-methylcyclobutyl)-5-(6-methylpyridazin-4-yl)-1,2,4-oxadiazole

3-(1-methylcyclobutyl)-5-(6-methylpyridazin-4-yl)-1,2,4-oxadiazole (PubChem CID 136559665) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(1-methylcyclobutyl)-5-(6-methylpyridazin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylcyclobutyl)-5-(6-methylpyridazin-4-yl)-1,2,4-oxadiazole
PubChem CID136559665
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-(1-methylcyclobutyl)-5-(6-methylpyridazin-4-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(C3(C)CCC3)no2)cnn1
InChIInChI=1S/C12H14N4O/c1-8-6-9(7-13-15-8)10-14-11(16-17-10)12(2)4-3-5-12/h6-7H,3-5H2,1-2H3
InChIKeyNHOLTJPHSYCDNM-UHFFFAOYSA-N
XLogP2.28
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclobutyl)-5-(6-methylpyridazin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylcyclobutyl)-5-(6-methylpyridazin-4-yl)-1,2,4-oxadiazole (CID 136559665) is 3-(1-methylcyclobutyl)-5-(6-methylpyridazin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylcyclobutyl)-5-(6-methylpyridazin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylcyclobutyl)-5-(6-methylpyridazin-4-yl)-1,2,4-oxadiazole is Cc1cc(-c2nc(C3(C)CCC3)no2)cnn1.
What is the InChIKey of 3-(1-methylcyclobutyl)-5-(6-methylpyridazin-4-yl)-1,2,4-oxadiazole?
The InChIKey is NHOLTJPHSYCDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-6-9(7-13-15-8)10-14-11(16-17-10)12(2)4-3-5-12/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(1-methylcyclobutyl)-5-(6-methylpyridazin-4-yl)-1,2,4-oxadiazole?
3-(1-methylcyclobutyl)-5-(6-methylpyridazin-4-yl)-1,2,4-oxadiazole has a molecular weight of 230.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclobutyl)-5-(6-methylpyridazin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 136559665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).