7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

C9H16N4 — CID 130621572

IUPAC7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC(C)CN1CCn2ncnc2C1
InChIInChI=1S/C9H16N4/c1-8(2)5-12-3-4-13-9(6-12)10-7-11-13/h7-8H,3-6H2,1-2H3
InChIKeyDBUIGPUMVCRVEZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.75
Rot. Bonds2

About 7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 130621572) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID130621572
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC(C)CN1CCn2ncnc2C1
InChIInChI=1S/C9H16N4/c1-8(2)5-12-3-4-13-9(6-12)10-7-11-13/h7-8H,3-6H2,1-2H3
InChIKeyDBUIGPUMVCRVEZ-UHFFFAOYSA-N
XLogP0.75
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-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 7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 130621572) is 7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is CC(C)CN1CCn2ncnc2C1.
What is the InChIKey of 7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is DBUIGPUMVCRVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-8(2)5-12-3-4-13-9(6-12)10-7-11-13/h7-8H,3-6H2,1-2H3.
What are the key properties of 7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 180.25 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 130621572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).