2-(1-phenylimidazo[1,5-b][1,2,4]triazol-5-yl)ethanamine

C12H13N5 — CID 82473692

IUPAC2-(1-phenylimidazo[1,5-b][1,2,4]triazol-5-yl)ethanamine
SMILESNCCc1ncc2n(-c3ccccc3)cnn12
InChIInChI=1S/C12H13N5/c13-7-6-11-14-8-12-16(9-15-17(11)12)10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2
InChIKeyUJHKRAZEWYBIES-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.02
Rot. Bonds3

About 2-(1-phenylimidazo[1,5-b][1,2,4]triazol-5-yl)ethanamine

2-(1-phenylimidazo[1,5-b][1,2,4]triazol-5-yl)ethanamine (PubChem CID 82473692) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(1-phenylimidazo[1,5-b][1,2,4]triazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1-phenylimidazo[1,5-b][1,2,4]triazol-5-yl)ethanamine
PubChem CID82473692
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name2-(1-phenylimidazo[1,5-b][1,2,4]triazol-5-yl)ethanamine
SMILESNCCc1ncc2n(-c3ccccc3)cnn12
InChIInChI=1S/C12H13N5/c13-7-6-11-14-8-12-16(9-15-17(11)12)10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2
InChIKeyUJHKRAZEWYBIES-UHFFFAOYSA-N
XLogP1.02
TPSA61.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylimidazo[1,5-b][1,2,4]triazol-5-yl)ethanamine?
The IUPAC name of 2-(1-phenylimidazo[1,5-b][1,2,4]triazol-5-yl)ethanamine (CID 82473692) is 2-(1-phenylimidazo[1,5-b][1,2,4]triazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1-phenylimidazo[1,5-b][1,2,4]triazol-5-yl)ethanamine?
The canonical SMILES for 2-(1-phenylimidazo[1,5-b][1,2,4]triazol-5-yl)ethanamine is NCCc1ncc2n(-c3ccccc3)cnn12.
What is the InChIKey of 2-(1-phenylimidazo[1,5-b][1,2,4]triazol-5-yl)ethanamine?
The InChIKey is UJHKRAZEWYBIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-7-6-11-14-8-12-16(9-15-17(11)12)10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2.
What are the key properties of 2-(1-phenylimidazo[1,5-b][1,2,4]triazol-5-yl)ethanamine?
2-(1-phenylimidazo[1,5-b][1,2,4]triazol-5-yl)ethanamine has a molecular weight of 227.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylimidazo[1,5-b][1,2,4]triazol-5-yl)ethanamine is sourced from PubChem (CID 82473692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).