8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline

C12H11N3O — CID 1276764

IUPAC8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCOc1ccc2c(C)cc3nncn3c2c1
InChIInChI=1S/C12H11N3O/c1-8-5-12-14-13-7-15(12)11-6-9(16-2)3-4-10(8)11/h3-7H,1-2H3
InChIKeyABXPLSSVXWMCDS-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.20
Rot. Bonds1

About 8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline

8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 1276764) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID1276764
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCOc1ccc2c(C)cc3nncn3c2c1
InChIInChI=1S/C12H11N3O/c1-8-5-12-14-13-7-15(12)11-6-9(16-2)3-4-10(8)11/h3-7H,1-2H3
InChIKeyABXPLSSVXWMCDS-UHFFFAOYSA-N
XLogP2.20
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline (CID 1276764) is 8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline is COc1ccc2c(C)cc3nncn3c2c1.
What is the InChIKey of 8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is ABXPLSSVXWMCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-8-5-12-14-13-7-15(12)11-6-9(16-2)3-4-10(8)11/h3-7H,1-2H3.
What are the key properties of 8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline?
8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 213.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 1276764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).