2-[(4-propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C13H23N5O2 — CID 66274044

IUPAC2-[(4-propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)N1CCOC(Cn2nc3n(c2=O)CCNC3)C1
InChIInChI=1S/C13H23N5O2/c1-10(2)16-5-6-20-11(8-16)9-18-13(19)17-4-3-14-7-12(17)15-18/h10-11,14H,3-9H2,1-2H3
InChIKeyHJSOELDQDZKJKT-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.74
Rot. Bonds3

About 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[(4-propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66274044) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[(4-propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66274044
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[(4-propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)N1CCOC(Cn2nc3n(c2=O)CCNC3)C1
InChIInChI=1S/C13H23N5O2/c1-10(2)16-5-6-20-11(8-16)9-18-13(19)17-4-3-14-7-12(17)15-18/h10-11,14H,3-9H2,1-2H3
InChIKeyHJSOELDQDZKJKT-UHFFFAOYSA-N
XLogP-0.74
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66274044) is 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(C)N1CCOC(Cn2nc3n(c2=O)CCNC3)C1.
What is the InChIKey of 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is HJSOELDQDZKJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-10(2)16-5-6-20-11(8-16)9-18-13(19)17-4-3-14-7-12(17)15-18/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[(4-propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 281.36 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66274044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).