2-[2-(2-methoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C10H15N5O2 — CID 66272632

IUPAC2-[2-(2-methoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOCCNCCn1nc2cnccn2c1=O
InChIInChI=1S/C10H15N5O2/c1-17-7-4-11-3-6-15-10(16)14-5-2-12-8-9(14)13-15/h2,5,8,11H,3-4,6-7H2,1H3
InChIKeySURKMIMJVURTOF-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.87
Rot. Bonds6

About 2-[2-(2-methoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[2-(2-methoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272632) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[2-(2-methoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(2-methoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272632
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-[2-(2-methoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOCCNCCn1nc2cnccn2c1=O
InChIInChI=1S/C10H15N5O2/c1-17-7-4-11-3-6-15-10(16)14-5-2-12-8-9(14)13-15/h2,5,8,11H,3-4,6-7H2,1H3
InChIKeySURKMIMJVURTOF-UHFFFAOYSA-N
XLogP-0.87
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-(2-methoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272632) is 2-[2-(2-methoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(2-methoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(2-methoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COCCNCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-[2-(2-methoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is SURKMIMJVURTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-17-7-4-11-3-6-15-10(16)14-5-2-12-8-9(14)13-15/h2,5,8,11H,3-4,6-7H2,1H3.
What are the key properties of 2-[2-(2-methoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-(2-methoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 237.26 g/mol, XLogP of -0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).