7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine

C9H12N4O — CID 91563806

IUPAC7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine
SMILESCCc1nnc(C(C)C)c2nonc12
InChIInChI=1S/C9H12N4O/c1-4-6-8-9(13-14-12-8)7(5(2)3)11-10-6/h5H,4H2,1-3H3
InChIKeyJCDHHQLLXYQWNH-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.70
Rot. Bonds2

About 7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine

7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine (PubChem CID 91563806) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine
PubChem CID91563806
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine
SMILESCCc1nnc(C(C)C)c2nonc12
InChIInChI=1S/C9H12N4O/c1-4-6-8-9(13-14-12-8)7(5(2)3)11-10-6/h5H,4H2,1-3H3
InChIKeyJCDHHQLLXYQWNH-UHFFFAOYSA-N
XLogP1.70
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine
CID 90900426
2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine
CID 70837931
2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine
CID 89018232
ethane;2-ethyl-3-propan-2-ylpyrazine
CID 145260795
ethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole
CID 177044611
5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole
CID 121345564
3-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole
CID 166500557
1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine
CID 91038228
3-ethyl-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole
CID 89036857
4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
CID 91522280
2-ethyl-3-propan-2-ylpyrazino[2,3-b]pyrazine
CID 129153914
4-ethyl-6-propan-2-ylpyrimidin-5-ol
CID 143740728

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine?
The IUPAC name of 7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine (CID 91563806) is 7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine?
The canonical SMILES for 7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine is CCc1nnc(C(C)C)c2nonc12.
What is the InChIKey of 7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine?
The InChIKey is JCDHHQLLXYQWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-4-6-8-9(13-14-12-8)7(5(2)3)11-10-6/h5H,4H2,1-3H3.
What are the key properties of 7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine?
7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine has a molecular weight of 192.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine is sourced from PubChem (CID 91563806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).