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

C11H19N5O2 — CID 79182250

IUPAC2-[(4-methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCN1CCOC(Cn2nc3n(c2=O)CCNC3)C1
InChIInChI=1S/C11H19N5O2/c1-14-4-5-18-9(7-14)8-16-11(17)15-3-2-12-6-10(15)13-16/h9,12H,2-8H2,1H3
InChIKeyBGMJDWHYIBOTPO-UHFFFAOYSA-N
MW253.31 g/mol
LogP-1.52
Rot. Bonds2

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

2-[(4-methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 79182250) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[(4-methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[(4-methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID79182250
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-[(4-methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCN1CCOC(Cn2nc3n(c2=O)CCNC3)C1
InChIInChI=1S/C11H19N5O2/c1-14-4-5-18-9(7-14)8-16-11(17)15-3-2-12-6-10(15)13-16/h9,12H,2-8H2,1H3
InChIKeyBGMJDWHYIBOTPO-UHFFFAOYSA-N
XLogP-1.52
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-1.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[(4-methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 79182250) is 2-[(4-methylmorpholin-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-methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[(4-methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CN1CCOC(Cn2nc3n(c2=O)CCNC3)C1.
What is the InChIKey of 2-[(4-methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is BGMJDWHYIBOTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-14-4-5-18-9(7-14)8-16-11(17)15-3-2-12-6-10(15)13-16/h9,12H,2-8H2,1H3.
What are the key properties of 2-[(4-methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[(4-methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 253.31 g/mol, XLogP of -1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 79182250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).