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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Related Compounds

N-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
CID 10550488
2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine
CID 10331876
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
[2-bromo-4-(1,2,4-triazol-1-yl)phenyl]methanamine
CID 107275092
2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine
CID 54323492
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111972823
(2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol
CID 18665176
1-[2-(1H-indol-3-yl)ethyl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 55924498
[1-[3-(2-aminoethyl)-1H-indol-5-yl]azetidin-3-yl] 2,2,2-trifluoroacetate
CID 178170844
2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine
CID 167899707
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950

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).