2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine

C12H13N5 — CID 10443732

IUPAC2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(-n3cncn3)cc12
InChIInChI=1S/C12H13N5/c13-4-3-9-6-15-12-2-1-10(5-11(9)12)17-8-14-7-16-17/h1-2,5-8,15H,3-4,13H2
InChIKeyGVTFXDFIVBPFBQ-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.25
Rot. Bonds3

About 2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine

2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine (PubChem CID 10443732) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine
PubChem CID10443732
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(-n3cncn3)cc12
InChIInChI=1S/C12H13N5/c13-4-3-9-6-15-12-2-1-10(5-11(9)12)17-8-14-7-16-17/h1-2,5-8,15H,3-4,13H2
InChIKeyGVTFXDFIVBPFBQ-UHFFFAOYSA-N
XLogP1.25
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine (CID 10443732) is 2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine is NCCc1c[nH]c2ccc(-n3cncn3)cc12.
What is the InChIKey of 2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine?
The InChIKey is GVTFXDFIVBPFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-4-3-9-6-15-12-2-1-10(5-11(9)12)17-8-14-7-16-17/h1-2,5-8,15H,3-4,13H2.
What are the key properties of 2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine?
2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine has a molecular weight of 227.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10443732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).