3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide

C24H25N5O3 — CID 20949103

IUPAC3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCc1nnc2c(=O)n(-c3cc(C)cc(C)c3)ccn12
InChIInChI=1S/C24H25N5O3/c1-16-12-17(2)14-19(13-16)28-10-11-29-21(26-27-23(29)24(28)31)8-9-22(30)25-15-18-6-4-5-7-20(18)32-3/h4-7,10-14H,8-9,15H2,1-3H3,(H,25,30)
InChIKeyNZQZRPPYVKJUBU-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.75
Rot. Bonds7

About 3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide

3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 20949103) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID20949103
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCc1nnc2c(=O)n(-c3cc(C)cc(C)c3)ccn12
InChIInChI=1S/C24H25N5O3/c1-16-12-17(2)14-19(13-16)28-10-11-29-21(26-27-23(29)24(28)31)8-9-22(30)25-15-18-6-4-5-7-20(18)32-3/h4-7,10-14H,8-9,15H2,1-3H3,(H,25,30)
InChIKeyNZQZRPPYVKJUBU-UHFFFAOYSA-N
XLogP2.75
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 50795999
N-(3-chloro-4-methoxyphenyl)-3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propanamide
CID 20949087
N-[(4-methoxyphenyl)methyl]-3-[7-(4-methoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propanamide
CID 20949152
3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide
CID 46341308
N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
CID 20960987
7-(3,5-dimethylphenyl)-3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 46341287
N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
CID 50795893
3-(4-benzyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 20880758
N-[(2,3-dimethoxyphenyl)methyl]-2-[[7-(4-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]acetamide
CID 50804670
N-[(2-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24574499
3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-(3-phenylpropyl)propanamide
CID 46341246
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536203

Frequently Asked Questions

What is the IUPAC name of 3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide (CID 20949103) is 3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCc1nnc2c(=O)n(-c3cc(C)cc(C)c3)ccn12.
What is the InChIKey of 3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is NZQZRPPYVKJUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16-12-17(2)14-19(13-16)28-10-11-29-21(26-27-23(29)24(28)31)8-9-22(30)25-15-18-6-4-5-7-20(18)32-3/h4-7,10-14H,8-9,15H2,1-3H3,(H,25,30).
What are the key properties of 3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 431.50 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 20949103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).