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

C12H13N5 — CID 104911666

IUPAC(1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESN[C@@H](Cc1c[nH]c2ccccc12)c1ncn[nH]1
InChIInChI=1S/C12H13N5/c13-10(12-15-7-16-17-12)5-8-6-14-11-4-2-1-3-9(8)11/h1-4,6-7,10,14H,5,13H2,(H,15,16,17)/t10-/m0/s1
InChIKeySCMATAPARGJJHU-JTQLQIEISA-N
MW227.27 g/mol
LogP1.53
Rot. Bonds3

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

(1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 104911666) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is (1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID104911666
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name(1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESN[C@@H](Cc1c[nH]c2ccccc12)c1ncn[nH]1
InChIInChI=1S/C12H13N5/c13-10(12-15-7-16-17-12)5-8-6-14-11-4-2-1-3-9(8)11/h1-4,6-7,10,14H,5,13H2,(H,15,16,17)/t10-/m0/s1
InChIKeySCMATAPARGJJHU-JTQLQIEISA-N
XLogP1.53
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716224
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1-(1H-indol-3-yl)butan-2-amine
CID 8367
(2S)-2-amino-3-(1H-indol-3-yl)propane-1-thiol
CID 141276823
1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 62325597
4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one
CID 141250301
5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-one
CID 82385854
CID 90360713
CID 90360713
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
(1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine
CID 82387349
(1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104911668
(1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine
CID 70871812

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of (1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 104911666) is (1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for (1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine is N[C@@H](Cc1c[nH]c2ccccc12)c1ncn[nH]1.
What is the InChIKey of (1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is SCMATAPARGJJHU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13N5/c13-10(12-15-7-16-17-12)5-8-6-14-11-4-2-1-3-9(8)11/h1-4,6-7,10,14H,5,13H2,(H,15,16,17)/t10-/m0/s1.
What are the key properties of (1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
(1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 227.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 104911666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).