8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine

C14H22N6 — CID 53391186

IUPAC8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)Cc1cnc(N2CCN(C)CC2)c2nncn12
InChIInChI=1S/C14H22N6/c1-11(2)8-12-9-15-13(14-17-16-10-20(12)14)19-6-4-18(3)5-7-19/h9-11H,4-8H2,1-3H3
InChIKeyNVODQWYCWNSOII-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.07
Rot. Bonds3

About 8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine

8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 53391186) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID53391186
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)Cc1cnc(N2CCN(C)CC2)c2nncn12
InChIInChI=1S/C14H22N6/c1-11(2)8-12-9-15-13(14-17-16-10-20(12)14)19-6-4-18(3)5-7-19/h9-11H,4-8H2,1-3H3
InChIKeyNVODQWYCWNSOII-UHFFFAOYSA-N
XLogP1.07
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 53391186) is 8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)Cc1cnc(N2CCN(C)CC2)c2nncn12.
What is the InChIKey of 8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NVODQWYCWNSOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-11(2)8-12-9-15-13(14-17-16-10-20(12)14)19-6-4-18(3)5-7-19/h9-11H,4-8H2,1-3H3.
What are the key properties of 8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 274.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 53391186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).