3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C20H26N6O — CID 171997761

IUPAC3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1cccc(N2CCN(c3nccn4c(C(C)(C)C)nnc34)CC2)c1
InChIInChI=1S/C20H26N6O/c1-20(2,3)19-23-22-18-17(21-8-9-26(18)19)25-12-10-24(11-13-25)15-6-5-7-16(14-15)27-4/h5-9,14H,10-13H2,1-4H3
InChIKeyIRTRGGKNUPIDPR-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.76
Rot. Bonds3

About 3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 171997761) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID171997761
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1cccc(N2CCN(c3nccn4c(C(C)(C)C)nnc34)CC2)c1
InChIInChI=1S/C20H26N6O/c1-20(2,3)19-23-22-18-17(21-8-9-26(18)19)25-12-10-24(11-13-25)15-6-5-7-16(14-15)27-4/h5-9,14H,10-13H2,1-4H3
InChIKeyIRTRGGKNUPIDPR-UHFFFAOYSA-N
XLogP2.76
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 171997761) is 3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is COc1cccc(N2CCN(c3nccn4c(C(C)(C)C)nnc34)CC2)c1.
What is the InChIKey of 3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is IRTRGGKNUPIDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-20(2,3)19-23-22-18-17(21-8-9-26(18)19)25-12-10-24(11-13-25)15-6-5-7-16(14-15)27-4/h5-9,14H,10-13H2,1-4H3.
What are the key properties of 3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 366.47 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 171997761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).