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

C11H19N5O — CID 66429637

IUPAC2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]morpholine
SMILESc1nnc2n1CCN(CCC1CNCCO1)C2
InChIInChI=1S/C11H19N5O/c1(10-7-12-2-6-17-10)3-15-4-5-16-9-13-14-11(16)8-15/h9-10,12H,1-8H2
InChIKeyMTSLSYLOFHTGPF-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.53
Rot. Bonds3

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

2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]morpholine (PubChem CID 66429637) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]morpholine.

Molecular Properties

Compound Name2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]morpholine
PubChem CID66429637
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]morpholine
SMILESc1nnc2n1CCN(CCC1CNCCO1)C2
InChIInChI=1S/C11H19N5O/c1(10-7-12-2-6-17-10)3-15-4-5-16-9-13-14-11(16)8-15/h9-10,12H,1-8H2
InChIKeyMTSLSYLOFHTGPF-UHFFFAOYSA-N
XLogP-0.53
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]morpholine?
The IUPAC name of 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]morpholine (CID 66429637) is 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]morpholine.
What is the SMILES notation for 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]morpholine?
The canonical SMILES for 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]morpholine is c1nnc2n1CCN(CCC1CNCCO1)C2.
What is the InChIKey of 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]morpholine?
The InChIKey is MTSLSYLOFHTGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1(10-7-12-2-6-17-10)3-15-4-5-16-9-13-14-11(16)8-15/h9-10,12H,1-8H2.
What are the key properties of 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]morpholine?
2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]morpholine has a molecular weight of 237.31 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]morpholine is sourced from PubChem (CID 66429637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).