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

C17H22N8 — CID 72935848

IUPAC2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
SMILESCc1nccn1Cc1nnc(C2CCCN(c3cnccn3)C2)n1C
InChIInChI=1S/C17H22N8/c1-13-19-7-9-24(13)12-16-21-22-17(23(16)2)14-4-3-8-25(11-14)15-10-18-5-6-20-15/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3
InChIKeyWKBCMGSVFOBZOG-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.54
Rot. Bonds4

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

2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine (PubChem CID 72935848) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
PubChem CID72935848
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
SMILESCc1nccn1Cc1nnc(C2CCCN(c3cnccn3)C2)n1C
InChIInChI=1S/C17H22N8/c1-13-19-7-9-24(13)12-16-21-22-17(23(16)2)14-4-3-8-25(11-14)15-10-18-5-6-20-15/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3
InChIKeyWKBCMGSVFOBZOG-UHFFFAOYSA-N
XLogP1.54
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The IUPAC name of 2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine (CID 72935848) is 2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The canonical SMILES for 2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine is Cc1nccn1Cc1nnc(C2CCCN(c3cnccn3)C2)n1C.
What is the InChIKey of 2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The InChIKey is WKBCMGSVFOBZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8/c1-13-19-7-9-24(13)12-16-21-22-17(23(16)2)14-4-3-8-25(11-14)15-10-18-5-6-20-15/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3.
What are the key properties of 2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine has a molecular weight of 338.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 72935848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).