2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C17H17N5O2 — CID 129481188

IUPAC2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(c1ccccc1)N1CC[C@H](Cn2nc3cnccn3c2=O)C1
InChIInChI=1S/C17H17N5O2/c23-16(14-4-2-1-3-5-14)20-8-6-13(11-20)12-22-17(24)21-9-7-18-10-15(21)19-22/h1-5,7,9-10,13H,6,8,11-12H2/t13-/m0/s1
InChIKeyWTTNCJBKBJOLQV-ZDUSSCGKSA-N
MW323.36 g/mol
LogP1.05
Rot. Bonds3

About 2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 129481188) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID129481188
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(c1ccccc1)N1CC[C@H](Cn2nc3cnccn3c2=O)C1
InChIInChI=1S/C17H17N5O2/c23-16(14-4-2-1-3-5-14)20-8-6-13(11-20)12-22-17(24)21-9-7-18-10-15(21)19-22/h1-5,7,9-10,13H,6,8,11-12H2/t13-/m0/s1
InChIKeyWTTNCJBKBJOLQV-ZDUSSCGKSA-N
XLogP1.05
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one with MolForge

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Related Compounds

[(3R)-3-(benzotriazol-1-ylmethyl)pyrrolidin-1-yl]-phenylmethanone
CID 129481081
4-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-2-tert-butyl-1,2,4-triazol-3-one
CID 124875530
[(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 124740652
1-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-2-oxopyridine-3-carbonitrile
CID 129481063
[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 96568451
[4-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 129481889
[4-[(1-benzoylpyrrolidin-3-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 127265903
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
phenyl-[(3R)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 100748063
phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene
CID 142015550
2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115746883
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 129481188) is 2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=C(c1ccccc1)N1CC[C@H](Cn2nc3cnccn3c2=O)C1.
What is the InChIKey of 2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is WTTNCJBKBJOLQV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-16(14-4-2-1-3-5-14)20-8-6-13(11-20)12-22-17(24)21-9-7-18-10-15(21)19-22/h1-5,7,9-10,13H,6,8,11-12H2/t13-/m0/s1.
What are the key properties of 2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 323.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 129481188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).