7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine

C11H22N4 — CID 139365146

IUPAC7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCCC(C)N1CCN2CNN=C2C1
InChIInChI=1S/C11H22N4/c1-3-4-5-10(2)14-6-7-15-9-12-13-11(15)8-14/h10,12H,3-9H2,1-2H3
InChIKeyGOXLEVXVQDAPPY-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.06
Rot. Bonds4

About 7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine

7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 139365146) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID139365146
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCCC(C)N1CCN2CNN=C2C1
InChIInChI=1S/C11H22N4/c1-3-4-5-10(2)14-6-7-15-9-12-13-11(15)8-14/h10,12H,3-9H2,1-2H3
InChIKeyGOXLEVXVQDAPPY-UHFFFAOYSA-N
XLogP1.06
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[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 7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine (CID 139365146) is 7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine is CCCCC(C)N1CCN2CNN=C2C1.
What is the InChIKey of 7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GOXLEVXVQDAPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-4-5-10(2)14-6-7-15-9-12-13-11(15)8-14/h10,12H,3-9H2,1-2H3.
What are the key properties of 7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine?
7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 210.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexan-2-yl-3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 139365146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).