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

C16H14ClFN6O — CID 121419817

IUPAC(2-chloro-4-fluorophenyl)-[3-(2,3-dihydropyrazin-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2C2=NCCN=C2)C1
InChIInChI=1S/C16H14ClFN6O/c17-12-7-10(18)1-2-11(12)16(25)23-5-6-24-14(9-23)21-22-15(24)13-8-19-3-4-20-13/h1-2,7-8H,3-6,9H2
InChIKeyUOGVFEMCKKRTKP-UHFFFAOYSA-N
MW360.78 g/mol
LogP1.60
Rot. Bonds2

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

(2-chloro-4-fluorophenyl)-[3-(2,3-dihydropyrazin-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 121419817) has the molecular formula C16H14ClFN6O and a molecular weight of 360.78 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[3-(2,3-dihydropyrazin-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[3-(2,3-dihydropyrazin-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID121419817
Molecular FormulaC16H14ClFN6O
Molecular Weight360.78 g/mol
Exact Mass360.09
IUPAC Name(2-chloro-4-fluorophenyl)-[3-(2,3-dihydropyrazin-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2C2=NCCN=C2)C1
InChIInChI=1S/C16H14ClFN6O/c17-12-7-10(18)1-2-11(12)16(25)23-5-6-24-14(9-23)21-22-15(24)13-8-19-3-4-20-13/h1-2,7-8H,3-6,9H2
InChIKeyUOGVFEMCKKRTKP-UHFFFAOYSA-N
XLogP1.60
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chloro-4-fluorophenyl)-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66598982
(2-chloro-4-fluorophenyl)-[3-(3,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66599470
(2-chloro-4-fluorophenyl)-[3-(1-methyl-2,3-dihydropyrrol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 121419842
(2-chloro-4-fluorophenyl)-[3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66598958
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one
CID 25269089
(2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone
CID 66599458
(4-chloro-2-fluorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66599067
(2,4-difluorophenyl)-[3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 119042128
(2,3-dichloro-4-fluorophenyl)-[3-(1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66599055
(2-chloro-4-fluorophenyl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 121031867
(2-chloro-4-fluorophenyl)-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 121031840

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[3-(2,3-dihydropyrazin-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[3-(2,3-dihydropyrazin-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 121419817) is (2-chloro-4-fluorophenyl)-[3-(2,3-dihydropyrazin-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[3-(2,3-dihydropyrazin-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[3-(2,3-dihydropyrazin-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2C2=NCCN=C2)C1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[3-(2,3-dihydropyrazin-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is UOGVFEMCKKRTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN6O/c17-12-7-10(18)1-2-11(12)16(25)23-5-6-24-14(9-23)21-22-15(24)13-8-19-3-4-20-13/h1-2,7-8H,3-6,9H2.
What are the key properties of (2-chloro-4-fluorophenyl)-[3-(2,3-dihydropyrazin-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(2-chloro-4-fluorophenyl)-[3-(2,3-dihydropyrazin-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 360.78 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[3-(2,3-dihydropyrazin-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 121419817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).