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

C20H25N5O3 — CID 110263593

IUPAC1-[2-[7-(2-methoxy-3-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone
SMILESCOc1c(C)cccc1C(=O)N1CCn2c(nnc2C2CCCN2C(C)=O)C1
InChIInChI=1S/C20H25N5O3/c1-13-6-4-7-15(18(13)28-3)20(27)23-10-11-25-17(12-23)21-22-19(25)16-8-5-9-24(16)14(2)26/h4,6-7,16H,5,8-12H2,1-3H3
InChIKeyDDIAADPMIVZIRF-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.93
Rot. Bonds3

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

1-[2-[7-(2-methoxy-3-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110263593) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[2-[7-(2-methoxy-3-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[7-(2-methoxy-3-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone
PubChem CID110263593
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-[2-[7-(2-methoxy-3-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone
SMILESCOc1c(C)cccc1C(=O)N1CCn2c(nnc2C2CCCN2C(C)=O)C1
InChIInChI=1S/C20H25N5O3/c1-13-6-4-7-15(18(13)28-3)20(27)23-10-11-25-17(12-23)21-22-19(25)16-8-5-9-24(16)14(2)26/h4,6-7,16H,5,8-12H2,1-3H3
InChIKeyDDIAADPMIVZIRF-UHFFFAOYSA-N
XLogP1.93
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[7-(2-methoxy-3-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

(2-methoxy-3-methylphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 92622199
1-[3-[(2S)-1-(4-methyl-1H-indole-2-carbonyl)pyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 95833825
(2,6-dimethoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 92640624
1-[3-(1-acetylpyrrolidin-2-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
CID 110262958
(2-methoxy-3-methylphenyl)-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)piperidin-1-yl]methanone
CID 92623934
1-[3-(1-acetylpyrrolidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-fluorophenoxy)ethanone
CID 110263619
2-(2,6-dimethylphenoxy)-1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 110263634
1-[3-[(2S)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 95833815
1-[3-[(2R)-1-acetylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-phenoxyethanone
CID 95832888
1-[(2R)-2-[7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone
CID 92622788
[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 110263562
1-[3-[7-(2-methoxy-3-methylbenzoyl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110265780

Frequently Asked Questions

What is the IUPAC name of 1-[2-[7-(2-methoxy-3-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[7-(2-methoxy-3-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone (CID 110263593) is 1-[2-[7-(2-methoxy-3-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[7-(2-methoxy-3-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[7-(2-methoxy-3-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone is COc1c(C)cccc1C(=O)N1CCn2c(nnc2C2CCCN2C(C)=O)C1.
What is the InChIKey of 1-[2-[7-(2-methoxy-3-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is DDIAADPMIVZIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13-6-4-7-15(18(13)28-3)20(27)23-10-11-25-17(12-23)21-22-19(25)16-8-5-9-24(16)14(2)26/h4,6-7,16H,5,8-12H2,1-3H3.
What are the key properties of 1-[2-[7-(2-methoxy-3-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone?
1-[2-[7-(2-methoxy-3-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 383.45 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[7-(2-methoxy-3-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110263593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).