2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

C17H18N4O2 — CID 172906198

IUPAC2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESCc1ccc(C)c(-n2ccn3c(=O)n(CC4CC4)nc3c2=O)c1
InChIInChI=1S/C17H18N4O2/c1-11-3-4-12(2)14(9-11)19-7-8-20-15(16(19)22)18-21(17(20)23)10-13-5-6-13/h3-4,7-9,13H,5-6,10H2,1-2H3
InChIKeyAKNCYGOOOORWRG-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.67
Rot. Bonds3

About 2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (PubChem CID 172906198) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
PubChem CID172906198
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESCc1ccc(C)c(-n2ccn3c(=O)n(CC4CC4)nc3c2=O)c1
InChIInChI=1S/C17H18N4O2/c1-11-3-4-12(2)14(9-11)19-7-8-20-15(16(19)22)18-21(17(20)23)10-13-5-6-13/h3-4,7-9,13H,5-6,10H2,1-2H3
InChIKeyAKNCYGOOOORWRG-UHFFFAOYSA-N
XLogP1.67
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The IUPAC name of 2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (CID 172906198) is 2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.
What is the SMILES notation for 2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The canonical SMILES for 2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is Cc1ccc(C)c(-n2ccn3c(=O)n(CC4CC4)nc3c2=O)c1.
What is the InChIKey of 2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The InChIKey is AKNCYGOOOORWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-3-4-12(2)14(9-11)19-7-8-20-15(16(19)22)18-21(17(20)23)10-13-5-6-13/h3-4,7-9,13H,5-6,10H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione has a molecular weight of 310.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is sourced from PubChem (CID 172906198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).