8-methyl-[1,2,5]oxadiazolo[3,4-f]cinnoline

C9H6N4O — CID 2736918

IUPAC8-methyl-[1,2,5]oxadiazolo[3,4-f]cinnoline
SMILESCc1cc2c(ccc3nonc32)nn1
InChIInChI=1S/C9H6N4O/c1-5-4-6-7(11-10-5)2-3-8-9(6)13-14-12-8/h2-4H,1H3
InChIKeyBPXOLPGZIZVZCT-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.47
Rot. Bonds

About 8-methyl-[1,2,5]oxadiazolo[3,4-f]cinnoline

8-methyl-[1,2,5]oxadiazolo[3,4-f]cinnoline (PubChem CID 2736918) has the molecular formula C9H6N4O and a molecular weight of 186.17 g/mol. Its IUPAC name is 8-methyl-[1,2,5]oxadiazolo[3,4-f]cinnoline.

Molecular Properties

Compound Name8-methyl-[1,2,5]oxadiazolo[3,4-f]cinnoline
PubChem CID2736918
Molecular FormulaC9H6N4O
Molecular Weight186.17 g/mol
Exact Mass186.05
IUPAC Name8-methyl-[1,2,5]oxadiazolo[3,4-f]cinnoline
SMILESCc1cc2c(ccc3nonc32)nn1
InChIInChI=1S/C9H6N4O/c1-5-4-6-7(11-10-5)2-3-8-9(6)13-14-12-8/h2-4H,1H3
InChIKeyBPXOLPGZIZVZCT-UHFFFAOYSA-N
XLogP1.47
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-[1,2,5]oxadiazolo[3,4-f]cinnoline?
The IUPAC name of 8-methyl-[1,2,5]oxadiazolo[3,4-f]cinnoline (CID 2736918) is 8-methyl-[1,2,5]oxadiazolo[3,4-f]cinnoline.
What is the SMILES notation for 8-methyl-[1,2,5]oxadiazolo[3,4-f]cinnoline?
The canonical SMILES for 8-methyl-[1,2,5]oxadiazolo[3,4-f]cinnoline is Cc1cc2c(ccc3nonc32)nn1.
What is the InChIKey of 8-methyl-[1,2,5]oxadiazolo[3,4-f]cinnoline?
The InChIKey is BPXOLPGZIZVZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O/c1-5-4-6-7(11-10-5)2-3-8-9(6)13-14-12-8/h2-4H,1H3.
What are the key properties of 8-methyl-[1,2,5]oxadiazolo[3,4-f]cinnoline?
8-methyl-[1,2,5]oxadiazolo[3,4-f]cinnoline has a molecular weight of 186.17 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-[1,2,5]oxadiazolo[3,4-f]cinnoline is sourced from PubChem (CID 2736918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).