2,5-dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine

C14H21N7 — CID 29208474

IUPAC2,5-dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN(CCn3cncn3)CC2)n1
InChIInChI=1S/C14H21N7/c1-12-9-16-13(2)14(18-12)20-6-3-19(4-7-20)5-8-21-11-15-10-17-21/h9-11H,3-8H2,1-2H3
InChIKeyROXDDROUYSFISJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.51
Rot. Bonds4

About 2,5-dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine

2,5-dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine (PubChem CID 29208474) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2,5-dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine
PubChem CID29208474
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name2,5-dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN(CCn3cncn3)CC2)n1
InChIInChI=1S/C14H21N7/c1-12-9-16-13(2)14(18-12)20-6-3-19(4-7-20)5-8-21-11-15-10-17-21/h9-11H,3-8H2,1-2H3
InChIKeyROXDDROUYSFISJ-UHFFFAOYSA-N
XLogP0.51
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine (CID 29208474) is 2,5-dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine is Cc1cnc(C)c(N2CCN(CCn3cncn3)CC2)n1.
What is the InChIKey of 2,5-dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine?
The InChIKey is ROXDDROUYSFISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-12-9-16-13(2)14(18-12)20-6-3-19(4-7-20)5-8-21-11-15-10-17-21/h9-11H,3-8H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine?
2,5-dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine has a molecular weight of 287.37 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 29208474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).