2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone

C13H18N6O — CID 115677808

IUPAC2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone
SMILESCc1nnc2c(NCC(=O)N3CCCCC3)nccn12
InChIInChI=1S/C13H18N6O/c1-10-16-17-13-12(14-5-8-19(10)13)15-9-11(20)18-6-3-2-4-7-18/h5,8H,2-4,6-7,9H2,1H3,(H,14,15)
InChIKeyPUELCBWMYSHPLY-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.86
Rot. Bonds3

About 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone

2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone (PubChem CID 115677808) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone
PubChem CID115677808
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone
SMILESCc1nnc2c(NCC(=O)N3CCCCC3)nccn12
InChIInChI=1S/C13H18N6O/c1-10-16-17-13-12(14-5-8-19(10)13)15-9-11(20)18-6-3-2-4-7-18/h5,8H,2-4,6-7,9H2,1H3,(H,14,15)
InChIKeyPUELCBWMYSHPLY-UHFFFAOYSA-N
XLogP0.86
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

2-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56806210
1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one
CID 115765269
4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid
CID 82684004
[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165435128
3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanamide
CID 115685028
2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113405876
1-cyclopropyl-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one
CID 112561891
3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid
CID 66030575
1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone
CID 115677839
3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113494041
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113255900
2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid
CID 64818022

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone (CID 115677808) is 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone is Cc1nnc2c(NCC(=O)N3CCCCC3)nccn12.
What is the InChIKey of 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone?
The InChIKey is PUELCBWMYSHPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-10-16-17-13-12(14-5-8-19(10)13)15-9-11(20)18-6-3-2-4-7-18/h5,8H,2-4,6-7,9H2,1H3,(H,14,15).
What are the key properties of 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone?
2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone has a molecular weight of 274.33 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 115677808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).