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

C10H11N5O — CID 66272844

IUPAC2-[2-(prop-2-ynylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESC#CCNCCn1nc2cnccn2c1=O
InChIInChI=1S/C10H11N5O/c1-2-3-11-5-7-15-10(16)14-6-4-12-8-9(14)13-15/h1,4,6,8,11H,3,5,7H2
InChIKeyIQPKOPCOAAGEJW-UHFFFAOYSA-N
MW217.23 g/mol
LogP-0.89
Rot. Bonds4

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

2-[2-(prop-2-ynylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272844) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[2-(prop-2-ynylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(prop-2-ynylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272844
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name2-[2-(prop-2-ynylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESC#CCNCCn1nc2cnccn2c1=O
InChIInChI=1S/C10H11N5O/c1-2-3-11-5-7-15-10(16)14-6-4-12-8-9(14)13-15/h1,4,6,8,11H,3,5,7H2
InChIKeyIQPKOPCOAAGEJW-UHFFFAOYSA-N
XLogP-0.89
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(prop-2-ynylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-(prop-2-ynylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272844) is 2-[2-(prop-2-ynylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(prop-2-ynylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(prop-2-ynylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is C#CCNCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-[2-(prop-2-ynylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is IQPKOPCOAAGEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-2-3-11-5-7-15-10(16)14-6-4-12-8-9(14)13-15/h1,4,6,8,11H,3,5,7H2.
What are the key properties of 2-[2-(prop-2-ynylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-(prop-2-ynylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 217.23 g/mol, XLogP of -0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(prop-2-ynylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).