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

C11H10FN5O — CID 115497926

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone
SMILESO=C(c1cccc(F)n1)N1CCn2cnnc2C1
InChIInChI=1S/C11H10FN5O/c12-9-3-1-2-8(14-9)11(18)16-4-5-17-7-13-15-10(17)6-16/h1-3,7H,4-6H2
InChIKeyLZVGNPRWMSPJGJ-UHFFFAOYSA-N
MW247.23 g/mol
LogP0.47
Rot. Bonds1

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

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone (PubChem CID 115497926) has the molecular formula C11H10FN5O and a molecular weight of 247.23 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone
PubChem CID115497926
Molecular FormulaC11H10FN5O
Molecular Weight247.23 g/mol
Exact Mass247.09
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone
SMILESO=C(c1cccc(F)n1)N1CCn2cnnc2C1
InChIInChI=1S/C11H10FN5O/c12-9-3-1-2-8(14-9)11(18)16-4-5-17-7-13-15-10(17)6-16/h1-3,7H,4-6H2
InChIKeyLZVGNPRWMSPJGJ-UHFFFAOYSA-N
XLogP0.47
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone
CID 136524051
4-(6-fluoropyridine-2-carbonyl)piperazin-2-one
CID 115496615
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115498100
(6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 115497823
(2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574910
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2,3-dimethoxyphenyl)methanone
CID 53193587
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104641550
(3-chloro-2-nitrophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 79831549
(2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64576833
(4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 81233345
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-(ethylamino)phenyl]methanone
CID 64575650
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-3-(trifluoromethyl)benzoic acid
CID 167785105

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone (CID 115497926) is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone is O=C(c1cccc(F)n1)N1CCn2cnnc2C1.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone?
The InChIKey is LZVGNPRWMSPJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O/c12-9-3-1-2-8(14-9)11(18)16-4-5-17-7-13-15-10(17)6-16/h1-3,7H,4-6H2.
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone?
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone has a molecular weight of 247.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 115497926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).