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

C9H8N4O — CID 3246751

IUPAC8-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline
SMILESCc1cc2c(nn1)CCc1nonc1-2
InChIInChI=1S/C9H8N4O/c1-5-4-6-7(11-10-5)2-3-8-9(6)13-14-12-8/h4H,2-3H2,1H3
InChIKeyXCTGVAZZQSNJFW-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.93
Rot. Bonds

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

8-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline (PubChem CID 3246751) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 8-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline.

Molecular Properties

Compound Name8-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline
PubChem CID3246751
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name8-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline
SMILESCc1cc2c(nn1)CCc1nonc1-2
InChIInChI=1S/C9H8N4O/c1-5-4-6-7(11-10-5)2-3-8-9(6)13-14-12-8/h4H,2-3H2,1H3
InChIKeyXCTGVAZZQSNJFW-UHFFFAOYSA-N
XLogP0.93
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline?
The IUPAC name of 8-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline (CID 3246751) is 8-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline.
What is the SMILES notation for 8-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline?
The canonical SMILES for 8-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline is Cc1cc2c(nn1)CCc1nonc1-2.
What is the InChIKey of 8-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline?
The InChIKey is XCTGVAZZQSNJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-5-4-6-7(11-10-5)2-3-8-9(6)13-14-12-8/h4H,2-3H2,1H3.
What are the key properties of 8-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline?
8-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline has a molecular weight of 188.19 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline is sourced from PubChem (CID 3246751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).