4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one

C13H20N6O2 — CID 95758132

IUPAC4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one
SMILESCc1nc2n(n1)C[C@@H](NCC(=O)N1CCNC(=O)C1)CC2
InChIInChI=1S/C13H20N6O2/c1-9-16-11-3-2-10(7-19(11)17-9)15-6-13(21)18-5-4-14-12(20)8-18/h10,15H,2-8H2,1H3,(H,14,20)/t10-/m0/s1
InChIKeyZMQXWXYKKWCEKL-JTQLQIEISA-N
MW292.34 g/mol
LogP-1.55
Rot. Bonds3

About 4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one

4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one (PubChem CID 95758132) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one
PubChem CID95758132
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one
SMILESCc1nc2n(n1)C[C@@H](NCC(=O)N1CCNC(=O)C1)CC2
InChIInChI=1S/C13H20N6O2/c1-9-16-11-3-2-10(7-19(11)17-9)15-6-13(21)18-5-4-14-12(20)8-18/h10,15H,2-8H2,1H3,(H,14,20)/t10-/m0/s1
InChIKeyZMQXWXYKKWCEKL-JTQLQIEISA-N
XLogP-1.55
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide
CID 95979274
2-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115616214
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
CID 95345919
4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one
CID 65366267
1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone
CID 95612124
5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione
CID 95758084
1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one
CID 56781313
1-(2,3-dihydroindol-1-yl)-3-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
CID 95612111
(1R)-1-(2-chlorophenyl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanol
CID 95979079
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
CID 95344349
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95979078
(2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 95312243

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one?
The IUPAC name of 4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one (CID 95758132) is 4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one is Cc1nc2n(n1)C[C@@H](NCC(=O)N1CCNC(=O)C1)CC2.
What is the InChIKey of 4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one?
The InChIKey is ZMQXWXYKKWCEKL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N6O2/c1-9-16-11-3-2-10(7-19(11)17-9)15-6-13(21)18-5-4-14-12(20)8-18/h10,15H,2-8H2,1H3,(H,14,20)/t10-/m0/s1.
What are the key properties of 4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one?
4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one has a molecular weight of 292.34 g/mol, XLogP of -1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one is sourced from PubChem (CID 95758132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).