2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline

C20H21N5 — CID 54755729

IUPAC2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline
SMILESCc1ccc2ccc(CCc3nc4c(C)ncc(C)n4n3)nc2c1C
InChIInChI=1S/C20H21N5/c1-12-5-6-16-7-8-17(22-19(16)14(12)3)9-10-18-23-20-15(4)21-11-13(2)25(20)24-18/h5-8,11H,9-10H2,1-4H3
InChIKeyRWEIBGAUZMQLDS-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.69
Rot. Bonds3

About 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline (PubChem CID 54755729) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline.

Molecular Properties

Compound Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline
PubChem CID54755729
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline
SMILESCc1ccc2ccc(CCc3nc4c(C)ncc(C)n4n3)nc2c1C
InChIInChI=1S/C20H21N5/c1-12-5-6-16-7-8-17(22-19(16)14(12)3)9-10-18-23-20-15(4)21-11-13(2)25(20)24-18/h5-8,11H,9-10H2,1-4H3
InChIKeyRWEIBGAUZMQLDS-UHFFFAOYSA-N
XLogP3.69
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline?
The IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline (CID 54755729) is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline.
What is the SMILES notation for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline?
The canonical SMILES for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline is Cc1ccc2ccc(CCc3nc4c(C)ncc(C)n4n3)nc2c1C.
What is the InChIKey of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline?
The InChIKey is RWEIBGAUZMQLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-12-5-6-16-7-8-17(22-19(16)14(12)3)9-10-18-23-20-15(4)21-11-13(2)25(20)24-18/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline?
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline has a molecular weight of 331.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline is sourced from PubChem (CID 54755729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).