2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

C17H18N4O2 — CID 175651319

IUPAC2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESCCc1cccc(-n2ccn3c(=O)n(CC4CC4)nc3c2=O)c1
InChIInChI=1S/C17H18N4O2/c1-2-12-4-3-5-14(10-12)19-8-9-20-15(16(19)22)18-21(17(20)23)11-13-6-7-13/h3-5,8-10,13H,2,6-7,11H2,1H3
InChIKeyCPXBALJXBMJFOS-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.62
Rot. Bonds4

About 2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (PubChem CID 175651319) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
PubChem CID175651319
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESCCc1cccc(-n2ccn3c(=O)n(CC4CC4)nc3c2=O)c1
InChIInChI=1S/C17H18N4O2/c1-2-12-4-3-5-14(10-12)19-8-9-20-15(16(19)22)18-21(17(20)23)11-13-6-7-13/h3-5,8-10,13H,2,6-7,11H2,1H3
InChIKeyCPXBALJXBMJFOS-UHFFFAOYSA-N
XLogP1.62
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclobutylmethyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 172893752
2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 172906198
7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 175651322
2-but-2-ynyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 163358343
7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 163358339
1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione
CID 30566185
1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione
CID 7286786
7-(3,5-dimethylphenyl)-2-(2-methylprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 172893807
3-(cyclopropylmethylsulfanyl)-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 155976972
7-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 16813336
N-cyclopentyl-1-(3-ethylphenyl)imidazol-2-amine
CID 106559803
1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione
CID 163349752

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The IUPAC name of 2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (CID 175651319) is 2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.
What is the SMILES notation for 2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The canonical SMILES for 2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is CCc1cccc(-n2ccn3c(=O)n(CC4CC4)nc3c2=O)c1.
What is the InChIKey of 2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The InChIKey is CPXBALJXBMJFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-12-4-3-5-14(10-12)19-8-9-20-15(16(19)22)18-21(17(20)23)11-13-6-7-13/h3-5,8-10,13H,2,6-7,11H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione has a molecular weight of 310.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is sourced from PubChem (CID 175651319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).