(2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

C15H21N5 — CID 95140193

IUPAC(2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESC[C@@H](Cn1cncn1)NCCN1CCc2ccccc21
InChIInChI=1S/C15H21N5/c1-13(10-20-12-16-11-18-20)17-7-9-19-8-6-14-4-2-3-5-15(14)19/h2-5,11-13,17H,6-10H2,1H3/t13-/m0/s1
InChIKeyMCZXHLWWWNNXPS-ZDUSSCGKSA-N
MW271.37 g/mol
LogP1.32
Rot. Bonds6

About (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

(2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 95140193) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID95140193
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name(2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESC[C@@H](Cn1cncn1)NCCN1CCc2ccccc21
InChIInChI=1S/C15H21N5/c1-13(10-20-12-16-11-18-20)17-7-9-19-8-6-14-4-2-3-5-15(14)19/h2-5,11-13,17H,6-10H2,1H3/t13-/m0/s1
InChIKeyMCZXHLWWWNNXPS-ZDUSSCGKSA-N
XLogP1.32
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 9903932
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-ethyl-1,2,4-triazol-3-yl)aniline
CID 22493263
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline
CID 22493265
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methyl-1H-1,2,4-triazol-5-yl)aniline
CID 22493343
2-(2-butyl-1,2,4-triazol-3-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 22493367
1-(4-(1H-1,2,4-Triazol-1-yl)phenyl)ethanamine
CID 4962205
1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine
CID 834537
1-propyl-N-[4-(pyrrolidin-1-yl)benzyl]-1H-tetrazol-5-amine
CID 834708
(E,2E)-N-(1,2,4-Triazol-4-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 6871195
2-[(1H-1,2,4-triazol-1-yl)methyl]aniline
CID 6482003
1-butyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine
CID 1817985
1-Ethyl-7-[(4-fluoro-phenyl)-[1,2,4]triazol-1-yl-methyl]-2,3-dihydro-1H-indole
CID 44286353

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 95140193) is (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is C[C@@H](Cn1cncn1)NCCN1CCc2ccccc21.
What is the InChIKey of (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is MCZXHLWWWNNXPS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5/c1-13(10-20-12-16-11-18-20)17-7-9-19-8-6-14-4-2-3-5-15(14)19/h2-5,11-13,17H,6-10H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
(2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 271.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 95140193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).