8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine

C14H16N8 — CID 175650407

IUPAC8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1cnc(N2CCCN(c3nccn4cnnc34)CC2)cn1
InChIInChI=1S/C14H16N8/c1-5-20(12-10-15-2-3-16-12)8-9-21(6-1)13-14-19-18-11-22(14)7-4-17-13/h2-4,7,10-11H,1,5-6,8-9H2
InChIKeyRNFWCTUTSODOLE-UHFFFAOYSA-N
MW296.34 g/mol
LogP0.63
Rot. Bonds2

About 8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine

8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 175650407) has the molecular formula C14H16N8 and a molecular weight of 296.34 g/mol. Its IUPAC name is 8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID175650407
Molecular FormulaC14H16N8
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1cnc(N2CCCN(c3nccn4cnnc34)CC2)cn1
InChIInChI=1S/C14H16N8/c1-5-20(12-10-15-2-3-16-12)8-9-21(6-1)13-14-19-18-11-22(14)7-4-17-13/h2-4,7,10-11H,1,5-6,8-9H2
InChIKeyRNFWCTUTSODOLE-UHFFFAOYSA-N
XLogP0.63
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-(4-pyrazin-2-yl-1,4-diazepan-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

Related Compounds

8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 166605117
8-[4-(2,3-difluorophenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 125423751
8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 166605294
8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 80673667
3-piperidin-1-yl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazine
CID 171700804
3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 171323723
3,5-dimethyl-4-[[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]methyl]-1,2-oxazole
CID 171326907
4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline
CID 166605547
2-(4-iodopiperazin-1-yl)pyrazine
CID 143021662
6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine
CID 166605581
1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 71926075
8-[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 97218843

Frequently Asked Questions

What is the IUPAC name of 8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 175650407) is 8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is c1cnc(N2CCCN(c3nccn4cnnc34)CC2)cn1.
What is the InChIKey of 8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is RNFWCTUTSODOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8/c1-5-20(12-10-15-2-3-16-12)8-9-21(6-1)13-14-19-18-11-22(14)7-4-17-13/h2-4,7,10-11H,1,5-6,8-9H2.
What are the key properties of 8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 296.34 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 175650407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).