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

C16H21N5 — CID 104911691

IUPAC(1R)-2-(1H-indol-3-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(C)Cn1cnnc1[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H21N5/c1-11(2)9-21-10-19-20-16(21)14(17)7-12-8-18-15-6-4-3-5-13(12)15/h3-6,8,10-11,14,18H,7,9,17H2,1-2H3/t14-/m1/s1
InChIKeyPYIJXDIIWMAVGK-CQSZACIVSA-N
MW283.38 g/mol
LogP2.66
Rot. Bonds5

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

(1R)-2-(1H-indol-3-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 104911691) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is (1R)-2-(1H-indol-3-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name(1R)-2-(1H-indol-3-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID104911691
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name(1R)-2-(1H-indol-3-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(C)Cn1cnnc1[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H21N5/c1-11(2)9-21-10-19-20-16(21)14(17)7-12-8-18-15-6-4-3-5-13(12)15/h3-6,8,10-11,14,18H,7,9,17H2,1-2H3/t14-/m1/s1
InChIKeyPYIJXDIIWMAVGK-CQSZACIVSA-N
XLogP2.66
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-2-(1H-indol-3-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine with MolForge

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Related Compounds

(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethanamine
CID 104911671
(1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 104911687
(1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104911668
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561
1-(1H-indol-3-yl)butan-2-amine
CID 8367
(4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140660880
3-(2-fluoropropyl)-1H-indole
CID 142409179
(1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 104911666
[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl] (2S)-2-amino-4-methylpentanoate
CID 54443221
(1S)-2-(1H-indol-3-yl)-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
CID 6602709
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(1H-indol-3-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of (1R)-2-(1H-indol-3-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (CID 104911691) is (1R)-2-(1H-indol-3-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for (1R)-2-(1H-indol-3-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for (1R)-2-(1H-indol-3-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is CC(C)Cn1cnnc1[C@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (1R)-2-(1H-indol-3-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is PYIJXDIIWMAVGK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5/c1-11(2)9-21-10-19-20-16(21)14(17)7-12-8-18-15-6-4-3-5-13(12)15/h3-6,8,10-11,14,18H,7,9,17H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-2-(1H-indol-3-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
(1R)-2-(1H-indol-3-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 283.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(1H-indol-3-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 104911691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).