9-fluoro-1,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

C12H12FN3 — CID 123435420

IUPAC9-fluoro-1,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1cc(F)c2c(c1)CCc1nnc(C)n1-2
InChIInChI=1S/C12H12FN3/c1-7-5-9-3-4-11-15-14-8(2)16(11)12(9)10(13)6-7/h5-6H,3-4H2,1-2H3
InChIKeyRQPWYAUIOXFGRB-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.12
Rot. Bonds

About 9-fluoro-1,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

9-fluoro-1,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 123435420) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 9-fluoro-1,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name9-fluoro-1,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID123435420
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name9-fluoro-1,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1cc(F)c2c(c1)CCc1nnc(C)n1-2
InChIInChI=1S/C12H12FN3/c1-7-5-9-3-4-11-15-14-8(2)16(11)12(9)10(13)6-7/h5-6H,3-4H2,1-2H3
InChIKeyRQPWYAUIOXFGRB-UHFFFAOYSA-N
XLogP2.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-1,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 9-fluoro-1,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (CID 123435420) is 9-fluoro-1,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 9-fluoro-1,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 9-fluoro-1,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is Cc1cc(F)c2c(c1)CCc1nnc(C)n1-2.
What is the InChIKey of 9-fluoro-1,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is RQPWYAUIOXFGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-7-5-9-3-4-11-15-14-8(2)16(11)12(9)10(13)6-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 9-fluoro-1,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
9-fluoro-1,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 217.25 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-1,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 123435420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).