4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine

C15H21N7O — CID 97405772

IUPAC4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine
SMILESCc1cnc(N2CCn3c(CN4CCOCC4)nnc3C2)nc1
InChIInChI=1S/C15H21N7O/c1-12-8-16-15(17-9-12)21-2-3-22-13(18-19-14(22)11-21)10-20-4-6-23-7-5-20/h8-9H,2-7,10-11H2,1H3
InChIKeyDGBWOIKCBPEZPQ-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.23
Rot. Bonds3

About 4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine

4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine (PubChem CID 97405772) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine
PubChem CID97405772
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine
SMILESCc1cnc(N2CCn3c(CN4CCOCC4)nnc3C2)nc1
InChIInChI=1S/C15H21N7O/c1-12-8-16-15(17-9-12)21-2-3-22-13(18-19-14(22)11-21)10-20-4-6-23-7-5-20/h8-9H,2-7,10-11H2,1H3
InChIKeyDGBWOIKCBPEZPQ-UHFFFAOYSA-N
XLogP0.23
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine (CID 97405772) is 4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine is Cc1cnc(N2CCn3c(CN4CCOCC4)nnc3C2)nc1.
What is the InChIKey of 4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine?
The InChIKey is DGBWOIKCBPEZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-12-8-16-15(17-9-12)21-2-3-22-13(18-19-14(22)11-21)10-20-4-6-23-7-5-20/h8-9H,2-7,10-11H2,1H3.
What are the key properties of 4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine?
4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine has a molecular weight of 315.38 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine is sourced from PubChem (CID 97405772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).