4-[[4-methyl-5-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine

C18H27N7O — CID 70733052

IUPAC4-[[4-methyl-5-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCc1nccnc1N1CCCC(c2nnc(CN3CCOCC3)n2C)C1
InChIInChI=1S/C18H27N7O/c1-14-17(20-6-5-19-14)25-7-3-4-15(12-25)18-22-21-16(23(18)2)13-24-8-10-26-11-9-24/h5-6,15H,3-4,7-13H2,1-2H3
InChIKeyLMIFZBWXNHGUQX-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.13
Rot. Bonds4

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

4-[[4-methyl-5-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70733052) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[[4-methyl-5-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-5-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70733052
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name4-[[4-methyl-5-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCc1nccnc1N1CCCC(c2nnc(CN3CCOCC3)n2C)C1
InChIInChI=1S/C18H27N7O/c1-14-17(20-6-5-19-14)25-7-3-4-15(12-25)18-22-21-16(23(18)2)13-24-8-10-26-11-9-24/h5-6,15H,3-4,7-13H2,1-2H3
InChIKeyLMIFZBWXNHGUQX-UHFFFAOYSA-N
XLogP1.13
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.13
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-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[4-methyl-5-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine (CID 70733052) is 4-[[4-methyl-5-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-5-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-5-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is Cc1nccnc1N1CCCC(c2nnc(CN3CCOCC3)n2C)C1.
What is the InChIKey of 4-[[4-methyl-5-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is LMIFZBWXNHGUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-14-17(20-6-5-19-14)25-7-3-4-15(12-25)18-22-21-16(23(18)2)13-24-8-10-26-11-9-24/h5-6,15H,3-4,7-13H2,1-2H3.
What are the key properties of 4-[[4-methyl-5-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[4-methyl-5-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 357.46 g/mol, XLogP of 1.13, 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-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70733052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).