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

C14H22N6 — CID 58447034

IUPAC5-(3-methylbutyl)-8-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)CCc1cnc(N2CCNCC2)c2nncn12
InChIInChI=1S/C14H22N6/c1-11(2)3-4-12-9-16-13(14-18-17-10-20(12)14)19-7-5-15-6-8-19/h9-11,15H,3-8H2,1-2H3
InChIKeyUECKCYVOFBHKDZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.12
Rot. Bonds4

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

5-(3-methylbutyl)-8-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 58447034) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-(3-methylbutyl)-8-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5-(3-methylbutyl)-8-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID58447034
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name5-(3-methylbutyl)-8-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)CCc1cnc(N2CCNCC2)c2nncn12
InChIInChI=1S/C14H22N6/c1-11(2)3-4-12-9-16-13(14-18-17-10-20(12)14)19-7-5-15-6-8-19/h9-11,15H,3-8H2,1-2H3
InChIKeyUECKCYVOFBHKDZ-UHFFFAOYSA-N
XLogP1.12
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-8-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5-(3-methylbutyl)-8-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine (CID 58447034) is 5-(3-methylbutyl)-8-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5-(3-methylbutyl)-8-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5-(3-methylbutyl)-8-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)CCc1cnc(N2CCNCC2)c2nncn12.
What is the InChIKey of 5-(3-methylbutyl)-8-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is UECKCYVOFBHKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-11(2)3-4-12-9-16-13(14-18-17-10-20(12)14)19-7-5-15-6-8-19/h9-11,15H,3-8H2,1-2H3.
What are the key properties of 5-(3-methylbutyl)-8-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine?
5-(3-methylbutyl)-8-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 274.37 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-8-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 58447034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).