7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine

C19H22N6O — CID 56714755

IUPAC7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
SMILESCOc1nccnc1N1CCc2nnc(CCc3ccccc3)n2CC1
InChIInChI=1S/C19H22N6O/c1-26-19-18(20-10-11-21-19)24-12-9-17-23-22-16(25(17)14-13-24)8-7-15-5-3-2-4-6-15/h2-6,10-11H,7-9,12-14H2,1H3
InChIKeyWAGFHZKRUWRYOU-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.92
Rot. Bonds5

About 7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine

7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine (PubChem CID 56714755) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine.

Molecular Properties

Compound Name7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
PubChem CID56714755
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
SMILESCOc1nccnc1N1CCc2nnc(CCc3ccccc3)n2CC1
InChIInChI=1S/C19H22N6O/c1-26-19-18(20-10-11-21-19)24-12-9-17-23-22-16(25(17)14-13-24)8-7-15-5-3-2-4-6-15/h2-6,10-11H,7-9,12-14H2,1H3
InChIKeyWAGFHZKRUWRYOU-UHFFFAOYSA-N
XLogP1.92
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine 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 7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine?
The IUPAC name of 7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine (CID 56714755) is 7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine.
What is the SMILES notation for 7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine?
The canonical SMILES for 7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine is COc1nccnc1N1CCc2nnc(CCc3ccccc3)n2CC1.
What is the InChIKey of 7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine?
The InChIKey is WAGFHZKRUWRYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-26-19-18(20-10-11-21-19)24-12-9-17-23-22-16(25(17)14-13-24)8-7-15-5-3-2-4-6-15/h2-6,10-11H,7-9,12-14H2,1H3.
What are the key properties of 7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine?
7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine has a molecular weight of 350.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxypyrazin-2-yl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine is sourced from PubChem (CID 56714755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).