2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide

C19H22N6O2 — CID 70734854

IUPAC2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)Cn2nc(C)n(CCc3ccccc3)c2=O)cn1
InChIInChI=1S/C19H22N6O2/c1-14-10-21-17(11-20-14)12-22-18(26)13-25-19(27)24(15(2)23-25)9-8-16-6-4-3-5-7-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,26)
InChIKeyFWJDJZFBLRSMJA-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.01
Rot. Bonds7

About 2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide

2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide (PubChem CID 70734854) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
PubChem CID70734854
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)Cn2nc(C)n(CCc3ccccc3)c2=O)cn1
InChIInChI=1S/C19H22N6O2/c1-14-10-21-17(11-20-14)12-22-18(26)13-25-19(27)24(15(2)23-25)9-8-16-6-4-3-5-7-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,26)
InChIKeyFWJDJZFBLRSMJA-UHFFFAOYSA-N
XLogP1.01
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide
CID 70736244
2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 70734680
N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 42245676
2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide
CID 70750399
2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one
CID 70759488
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide
CID 70774243
N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
CID 47038622
N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
CID 126448833
2-[2-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one
CID 70705389
2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 70733954
2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 64590585
2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 62848412

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The IUPAC name of 2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide (CID 70734854) is 2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide is Cc1cnc(CNC(=O)Cn2nc(C)n(CCc3ccccc3)c2=O)cn1.
What is the InChIKey of 2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The InChIKey is FWJDJZFBLRSMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-14-10-21-17(11-20-14)12-22-18(26)13-25-19(27)24(15(2)23-25)9-8-16-6-4-3-5-7-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,26).
What are the key properties of 2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide has a molecular weight of 366.43 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide is sourced from PubChem (CID 70734854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).