(4-fluorophenyl)-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C21H16FN5O — CID 53482944

IUPAC(4-fluorophenyl)-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccc3ccccc3n2)C1
InChIInChI=1S/C21H16FN5O/c22-16-8-5-15(6-9-16)21(28)26-11-12-27-19(13-26)24-25-20(27)18-10-7-14-3-1-2-4-17(14)23-18/h1-10H,11-13H2
InChIKeyILPJQGORFYSHNN-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.29
Rot. Bonds2

About (4-fluorophenyl)-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

(4-fluorophenyl)-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 53482944) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is (4-fluorophenyl)-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID53482944
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name(4-fluorophenyl)-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccc3ccccc3n2)C1
InChIInChI=1S/C21H16FN5O/c22-16-8-5-15(6-9-16)21(28)26-11-12-27-19(13-26)24-25-20(27)18-10-7-14-3-1-2-4-17(14)23-18/h1-10H,11-13H2
InChIKeyILPJQGORFYSHNN-UHFFFAOYSA-N
XLogP3.29
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 53482944) is (4-fluorophenyl)-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccc3ccccc3n2)C1.
What is the InChIKey of (4-fluorophenyl)-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is ILPJQGORFYSHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c22-16-8-5-15(6-9-16)21(28)26-11-12-27-19(13-26)24-25-20(27)18-10-7-14-3-1-2-4-17(14)23-18/h1-10H,11-13H2.
What are the key properties of (4-fluorophenyl)-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(4-fluorophenyl)-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 373.39 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 53482944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).