2-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

C20H19ClN4O2 — CID 134794270

IUPAC2-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)Cc2cccc(Cl)c2)C3)cc1
InChIInChI=1S/C20H19ClN4O2/c1-27-17-7-5-15(6-8-17)20-23-22-18-13-24(9-10-25(18)20)19(26)12-14-3-2-4-16(21)11-14/h2-8,11H,9-10,12-13H2,1H3
InChIKeyCKTOGPNFBMTCMH-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.19
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

2-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (PubChem CID 134794270) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
PubChem CID134794270
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)Cc2cccc(Cl)c2)C3)cc1
InChIInChI=1S/C20H19ClN4O2/c1-27-17-7-5-15(6-8-17)20-23-22-18-13-24(9-10-25(18)20)19(26)12-14-3-2-4-16(21)11-14/h2-8,11H,9-10,12-13H2,1H3
InChIKeyCKTOGPNFBMTCMH-UHFFFAOYSA-N
XLogP3.19
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-4-fluorophenyl)-[3-(3-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66599475
(2-chloro-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66599498
(2-fluorophenyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134792027
(4-fluorophenyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134792165
2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 134793560
[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 134795700
4-Butyl-2-(4-methoxyphenyl)-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 178305068
Sdccgsbi-0662765.P001
CID 134791471
1-[(3-Chloro-4-methoxyphenyl)acetyl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
CID 91810056
1-[(3-Chloro-4-methoxyphenyl)acetyl]-4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
CID 91810161
1-[(2-Chlorophenyl)acetyl]-4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
CID 91888762
3-(4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 53193552

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (CID 134794270) is 2-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is COc1ccc(-c2nnc3n2CCN(C(=O)Cc2cccc(Cl)c2)C3)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The InChIKey is CKTOGPNFBMTCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-27-17-7-5-15(6-8-17)20-23-22-18-13-24(9-10-25(18)20)19(26)12-14-3-2-4-16(21)11-14/h2-8,11H,9-10,12-13H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
2-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone has a molecular weight of 382.85 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 134794270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).