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

C15H22N6O — CID 163351043

IUPAC2,5-dimethyl-3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypyrazine
SMILESCc1cnc(C)c(OC2CCN(Cc3nncn3C)CC2)n1
InChIInChI=1S/C15H22N6O/c1-11-8-16-12(2)15(18-11)22-13-4-6-21(7-5-13)9-14-19-17-10-20(14)3/h8,10,13H,4-7,9H2,1-3H3
InChIKeyKRPCCADWXHINGQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.27
Rot. Bonds4

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

2,5-dimethyl-3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypyrazine (PubChem CID 163351043) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2,5-dimethyl-3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypyrazine
PubChem CID163351043
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name2,5-dimethyl-3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypyrazine
SMILESCc1cnc(C)c(OC2CCN(Cc3nncn3C)CC2)n1
InChIInChI=1S/C15H22N6O/c1-11-8-16-12(2)15(18-11)22-13-4-6-21(7-5-13)9-14-19-17-10-20(14)3/h8,10,13H,4-7,9H2,1-3H3
InChIKeyKRPCCADWXHINGQ-UHFFFAOYSA-N
XLogP1.27
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.27
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-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypyrazine?
The IUPAC name of 2,5-dimethyl-3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypyrazine (CID 163351043) is 2,5-dimethyl-3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypyrazine?
The canonical SMILES for 2,5-dimethyl-3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypyrazine is Cc1cnc(C)c(OC2CCN(Cc3nncn3C)CC2)n1.
What is the InChIKey of 2,5-dimethyl-3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypyrazine?
The InChIKey is KRPCCADWXHINGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11-8-16-12(2)15(18-11)22-13-4-6-21(7-5-13)9-14-19-17-10-20(14)3/h8,10,13H,4-7,9H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypyrazine?
2,5-dimethyl-3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypyrazine has a molecular weight of 302.38 g/mol, XLogP of 1.27, 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-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypyrazine is sourced from PubChem (CID 163351043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).