2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide

C12H16N4O2 — CID 129034358

IUPAC2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide
SMILESCc1c(CNC(=O)C(C)C)c(=O)cc2nc[nH]n12
InChIInChI=1S/C12H16N4O2/c1-7(2)12(18)13-5-9-8(3)16-11(4-10(9)17)14-6-15-16/h4,6-7H,5H2,1-3H3,(H,13,18)(H,14,15)
InChIKeyGLJRBDBBJOYGNT-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.60
Rot. Bonds3

About 2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide

2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide (PubChem CID 129034358) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide
PubChem CID129034358
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide
SMILESCc1c(CNC(=O)C(C)C)c(=O)cc2nc[nH]n12
InChIInChI=1S/C12H16N4O2/c1-7(2)12(18)13-5-9-8(3)16-11(4-10(9)17)14-6-15-16/h4,6-7H,5H2,1-3H3,(H,13,18)(H,14,15)
InChIKeyGLJRBDBBJOYGNT-UHFFFAOYSA-N
XLogP0.60
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide
CID 121368071
2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
CID 119888547
5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]benzamide;5-chloro-3-(ethylamino)-2-methyl-N-[(7-methyl-5-oxo-1H-triazolo[1,5-a]pyridin-6-yl)methyl]benzamide;bis(N,N-dimethylcyclohexanamine);ethane
CID 144778406
N-[(2,7-dimethyl-5-oxo-3H-imidazo[1,2-a]pyridin-6-yl)methyl]-2-methylpropanamide
CID 153188431
N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide
CID 135256470
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide
CID 130815542
(2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide
CID 119888525
2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide
CID 129034363
N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one
CID 158855996
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide
CID 171523613
2-methyl-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
CID 47342907

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide (CID 129034358) is 2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide is Cc1c(CNC(=O)C(C)C)c(=O)cc2nc[nH]n12.
What is the InChIKey of 2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide?
The InChIKey is GLJRBDBBJOYGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7(2)12(18)13-5-9-8(3)16-11(4-10(9)17)14-6-15-16/h4,6-7H,5H2,1-3H3,(H,13,18)(H,14,15).
What are the key properties of 2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide?
2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide has a molecular weight of 248.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide is sourced from PubChem (CID 129034358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).