3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamide

C24H25N5O2 — CID 92724965

IUPAC3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamide
SMILESCc1ccc(-n2ccn3c(CCC(=O)N[C@@H](C)c4ccccc4)nnc3c2=O)cc1C
InChIInChI=1S/C24H25N5O2/c1-16-9-10-20(15-17(16)2)28-13-14-29-21(26-27-23(29)24(28)31)11-12-22(30)25-18(3)19-7-5-4-6-8-19/h4-10,13-15,18H,11-12H2,1-3H3,(H,25,30)/t18-/m0/s1
InChIKeyZRYLUQIEBDTJQI-SFHVURJKSA-N
MW415.50 g/mol
LogP3.31
Rot. Bonds6

About 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamide

3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 92724965) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamide
PubChem CID92724965
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamide
SMILESCc1ccc(-n2ccn3c(CCC(=O)N[C@@H](C)c4ccccc4)nnc3c2=O)cc1C
InChIInChI=1S/C24H25N5O2/c1-16-9-10-20(15-17(16)2)28-13-14-29-21(26-27-23(29)24(28)31)11-12-22(30)25-18(3)19-7-5-4-6-8-19/h4-10,13-15,18H,11-12H2,1-3H3,(H,25,30)/t18-/m0/s1
InChIKeyZRYLUQIEBDTJQI-SFHVURJKSA-N
XLogP3.31
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide
CID 50806394
3-[11-(4-butoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaen-5-yl]-N-(1-phenylethyl)propanamide
CID 56685150
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7534488
2-[[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 50806503
3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
CID 8573456
(3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide
CID 94079642
3-(8-methyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 93071829
N-(3-chloro-4-methylphenyl)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methylbutanamide
CID 50795835
3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
CID 42925205
(2S)-2-[[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 94083147
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 135954015
(3R)-N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methylbutanamide
CID 94079610

Frequently Asked Questions

What is the IUPAC name of 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamide (CID 92724965) is 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamide is Cc1ccc(-n2ccn3c(CCC(=O)N[C@@H](C)c4ccccc4)nnc3c2=O)cc1C.
What is the InChIKey of 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is ZRYLUQIEBDTJQI-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-9-10-20(15-17(16)2)28-13-14-29-21(26-27-23(29)24(28)31)11-12-22(30)25-18(3)19-7-5-4-6-8-19/h4-10,13-15,18H,11-12H2,1-3H3,(H,25,30)/t18-/m0/s1.
What are the key properties of 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamide?
3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 415.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 92724965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).