2-(morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C10H13N5O2 — CID 66272616

IUPAC2-(morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CC2CNCCO2)nc2cnccn12
InChIInChI=1S/C10H13N5O2/c16-10-14-3-1-11-6-9(14)13-15(10)7-8-5-12-2-4-17-8/h1,3,6,8,12H,2,4-5,7H2
InChIKeyHILRWYBSWOZTAQ-UHFFFAOYSA-N
MW235.25 g/mol
LogP-1.12
Rot. Bonds2

About 2-(morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272616) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-(morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272616
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-(morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CC2CNCCO2)nc2cnccn12
InChIInChI=1S/C10H13N5O2/c16-10-14-3-1-11-6-9(14)13-15(10)7-8-5-12-2-4-17-8/h1,3,6,8,12H,2,4-5,7H2
InChIKeyHILRWYBSWOZTAQ-UHFFFAOYSA-N
XLogP-1.12
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272616) is 2-(morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CC2CNCCO2)nc2cnccn12.
What is the InChIKey of 2-(morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is HILRWYBSWOZTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c16-10-14-3-1-11-6-9(14)13-15(10)7-8-5-12-2-4-17-8/h1,3,6,8,12H,2,4-5,7H2.
What are the key properties of 2-(morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 235.25 g/mol, XLogP of -1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).