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

C20H28N8 — CID 72859690

IUPAC2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine
SMILESCCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2cnc(C)cn2)CC1
InChIInChI=1S/C20H28N8/c1-4-28-19(14-27-10-7-21-16(27)3)24-25-20(28)17-5-8-26(9-6-17)13-18-12-22-15(2)11-23-18/h7,10-12,17H,4-6,8-9,13-14H2,1-3H3
InChIKeyCYQBDFDMTRUKLF-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.33
Rot. Bonds6

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

2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine (PubChem CID 72859690) has the molecular formula C20H28N8 and a molecular weight of 380.50 g/mol. Its IUPAC name is 2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine
PubChem CID72859690
Molecular FormulaC20H28N8
Molecular Weight380.50 g/mol
Exact Mass380.24
IUPAC Name2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine
SMILESCCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2cnc(C)cn2)CC1
InChIInChI=1S/C20H28N8/c1-4-28-19(14-27-10-7-21-16(27)3)24-25-20(28)17-5-8-26(9-6-17)13-18-12-22-15(2)11-23-18/h7,10-12,17H,4-6,8-9,13-14H2,1-3H3
InChIKeyCYQBDFDMTRUKLF-UHFFFAOYSA-N
XLogP2.33
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine?
The IUPAC name of 2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine (CID 72859690) is 2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine.
What is the SMILES notation for 2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine?
The canonical SMILES for 2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine is CCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2cnc(C)cn2)CC1.
What is the InChIKey of 2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine?
The InChIKey is CYQBDFDMTRUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8/c1-4-28-19(14-27-10-7-21-16(27)3)24-25-20(28)17-5-8-26(9-6-17)13-18-12-22-15(2)11-23-18/h7,10-12,17H,4-6,8-9,13-14H2,1-3H3.
What are the key properties of 2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine?
2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine has a molecular weight of 380.50 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine is sourced from PubChem (CID 72859690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).