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

C12H21N5O2 — CID 79182335

IUPAC2-[(4-ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCN1CCOC(Cn2nc3n(c2=O)CCNC3)C1
InChIInChI=1S/C12H21N5O2/c1-2-15-5-6-19-10(8-15)9-17-12(18)16-4-3-13-7-11(16)14-17/h10,13H,2-9H2,1H3
InChIKeyJZJWMPDNIDSZSL-UHFFFAOYSA-N
MW267.33 g/mol
LogP-1.13
Rot. Bonds3

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

2-[(4-ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 79182335) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID79182335
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[(4-ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCN1CCOC(Cn2nc3n(c2=O)CCNC3)C1
InChIInChI=1S/C12H21N5O2/c1-2-15-5-6-19-10(8-15)9-17-12(18)16-4-3-13-7-11(16)14-17/h10,13H,2-9H2,1H3
InChIKeyJZJWMPDNIDSZSL-UHFFFAOYSA-N
XLogP-1.13
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 79182335) is 2-[(4-ethylmorpholin-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-ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCN1CCOC(Cn2nc3n(c2=O)CCNC3)C1.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is JZJWMPDNIDSZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-2-15-5-6-19-10(8-15)9-17-12(18)16-4-3-13-7-11(16)14-17/h10,13H,2-9H2,1H3.
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[(4-ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 267.33 g/mol, XLogP of -1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 79182335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).