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

C18H16FN5O — CID 67455077

IUPAC(4-fluorophenyl)-[(8S)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FN5O/c1-12-16-21-22-17(15-4-2-3-9-20-15)24(16)11-10-23(12)18(25)13-5-7-14(19)8-6-13/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyLOZJQVNFZDFQIJ-LBPRGKRZSA-N
MW337.36 g/mol
LogP2.70
Rot. Bonds2

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

(4-fluorophenyl)-[(8S)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 67455077) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is (4-fluorophenyl)-[(8S)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(8S)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID67455077
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name(4-fluorophenyl)-[(8S)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FN5O/c1-12-16-21-22-17(15-4-2-3-9-20-15)24(16)11-10-23(12)18(25)13-5-7-14(19)8-6-13/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyLOZJQVNFZDFQIJ-LBPRGKRZSA-N
XLogP2.70
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(8S)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(8S)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 67455077) is (4-fluorophenyl)-[(8S)-8-methyl-3-pyridin-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)-[(8S)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(8S)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is C[C@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[(8S)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is LOZJQVNFZDFQIJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-12-16-21-22-17(15-4-2-3-9-20-15)24(16)11-10-23(12)18(25)13-5-7-14(19)8-6-13/h2-9,12H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(8S)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(4-fluorophenyl)-[(8S)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 337.36 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(8S)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 67455077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).