4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one

C17H20N6O2 — CID 95298846

IUPAC4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@H](N[C@H]1CCc2ncnn2C1)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H20N6O2/c1-11(20-12-6-7-15-18-10-19-23(15)8-12)17(25)22-9-16(24)21-13-4-2-3-5-14(13)22/h2-5,10-12,20H,6-9H2,1H3,(H,21,24)/t11-,12-/m0/s1
InChIKeyNYEABNAKTUUQLB-RYUDHWBXSA-N
MW340.39 g/mol
LogP0.56
Rot. Bonds3

About 4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one

4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 95298846) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID95298846
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@H](N[C@H]1CCc2ncnn2C1)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H20N6O2/c1-11(20-12-6-7-15-18-10-19-23(15)8-12)17(25)22-9-16(24)21-13-4-2-3-5-14(13)22/h2-5,10-12,20H,6-9H2,1H3,(H,21,24)/t11-,12-/m0/s1
InChIKeyNYEABNAKTUUQLB-RYUDHWBXSA-N
XLogP0.56
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[(2S)-2-(cyclooctylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8558893
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
CID 95311791
(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
CID 95297182
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
CID 95040569
4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8596462
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
CID 100840996
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
CID 8911016
4-[(2S)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26630905
4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 95299656
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one (CID 95298846) is 4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one is C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is NYEABNAKTUUQLB-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11(20-12-6-7-15-18-10-19-23(15)8-12)17(25)22-9-16(24)21-13-4-2-3-5-14(13)22/h2-5,10-12,20H,6-9H2,1H3,(H,21,24)/t11-,12-/m0/s1.
What are the key properties of 4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 340.39 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 95298846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).