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

C18H22N8O — CID 72837172

IUPAC[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1nccn1Cc1nnc(C2CCN(C(=O)c3cnccn3)CC2)n1C
InChIInChI=1S/C18H22N8O/c1-13-20-7-10-26(13)12-16-22-23-17(24(16)2)14-3-8-25(9-4-14)18(27)15-11-19-5-6-21-15/h5-7,10-11,14H,3-4,8-9,12H2,1-2H3
InChIKeyQGRDLMWPPKQQCG-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.18
Rot. Bonds4

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

[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 72837172) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is [4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID72837172
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1nccn1Cc1nnc(C2CCN(C(=O)c3cnccn3)CC2)n1C
InChIInChI=1S/C18H22N8O/c1-13-20-7-10-26(13)12-16-22-23-17(24(16)2)14-3-8-25(9-4-14)18(27)15-11-19-5-6-21-15/h5-7,10-11,14H,3-4,8-9,12H2,1-2H3
InChIKeyQGRDLMWPPKQQCG-UHFFFAOYSA-N
XLogP1.18
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 72837172) is [4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is Cc1nccn1Cc1nnc(C2CCN(C(=O)c3cnccn3)CC2)n1C.
What is the InChIKey of [4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is QGRDLMWPPKQQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-13-20-7-10-26(13)12-16-22-23-17(24(16)2)14-3-8-25(9-4-14)18(27)15-11-19-5-6-21-15/h5-7,10-11,14H,3-4,8-9,12H2,1-2H3.
What are the key properties of [4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 366.43 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 72837172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).