7-fluoro-1-pyrazin-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

C14H10FN5 — CID 138380330

IUPAC7-fluoro-1-pyrazin-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESFc1ccc2c(c1)CCc1nnc(-c3cnccn3)n1-2
InChIInChI=1S/C14H10FN5/c15-10-2-3-12-9(7-10)1-4-13-18-19-14(20(12)13)11-8-16-5-6-17-11/h2-3,5-8H,1,4H2
InChIKeyAXWNGAVTPDLJDF-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.96
Rot. Bonds1

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

7-fluoro-1-pyrazin-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 138380330) has the molecular formula C14H10FN5 and a molecular weight of 267.27 g/mol. Its IUPAC name is 7-fluoro-1-pyrazin-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name7-fluoro-1-pyrazin-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID138380330
Molecular FormulaC14H10FN5
Molecular Weight267.27 g/mol
Exact Mass267.09
IUPAC Name7-fluoro-1-pyrazin-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESFc1ccc2c(c1)CCc1nnc(-c3cnccn3)n1-2
InChIInChI=1S/C14H10FN5/c15-10-2-3-12-9(7-10)1-4-13-18-19-14(20(12)13)11-8-16-5-6-17-11/h2-3,5-8H,1,4H2
InChIKeyAXWNGAVTPDLJDF-UHFFFAOYSA-N
XLogP1.96
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Adipiplon
CID 11198924
3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
3-Imidazol-1-yl-quinoline
CID 12354256
3-Phenylimidazo(1,5-a)pyridine
CID 606670
2-Phenylimidazo[2,1-a]phthalazin-6-amine
CID 3765310
2-Phenylimidazo(1,2-a)pyridine
CID 201136
6-[Difluoro-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045762
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204
US10399985, Example 17
CID 118278237

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-pyrazin-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 7-fluoro-1-pyrazin-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (CID 138380330) is 7-fluoro-1-pyrazin-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 7-fluoro-1-pyrazin-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 7-fluoro-1-pyrazin-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is Fc1ccc2c(c1)CCc1nnc(-c3cnccn3)n1-2.
What is the InChIKey of 7-fluoro-1-pyrazin-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is AXWNGAVTPDLJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5/c15-10-2-3-12-9(7-10)1-4-13-18-19-14(20(12)13)11-8-16-5-6-17-11/h2-3,5-8H,1,4H2.
What are the key properties of 7-fluoro-1-pyrazin-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
7-fluoro-1-pyrazin-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 267.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-pyrazin-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 138380330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).