2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine

C15H22N6 — CID 138008520

IUPAC2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCC(Cc3nncn3C)CC2)n1
InChIInChI=1S/C15H22N6/c1-11-9-16-12(2)15(18-11)21-6-4-13(5-7-21)8-14-19-17-10-20(14)3/h9-10,13H,4-8H2,1-3H3
InChIKeyIOTFLEJLPJRYCU-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.68
Rot. Bonds3

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

2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine (PubChem CID 138008520) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine
PubChem CID138008520
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCC(Cc3nncn3C)CC2)n1
InChIInChI=1S/C15H22N6/c1-11-9-16-12(2)15(18-11)21-6-4-13(5-7-21)8-14-19-17-10-20(14)3/h9-10,13H,4-8H2,1-3H3
InChIKeyIOTFLEJLPJRYCU-UHFFFAOYSA-N
XLogP1.68
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine (CID 138008520) is 2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine is Cc1cnc(C)c(N2CCC(Cc3nncn3C)CC2)n1.
What is the InChIKey of 2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine?
The InChIKey is IOTFLEJLPJRYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-11-9-16-12(2)15(18-11)21-6-4-13(5-7-21)8-14-19-17-10-20(14)3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine?
2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine has a molecular weight of 286.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 138008520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).