(1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

C13H15N5 — CID 104911668

IUPAC(1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCn1cnnc1[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H15N5/c1-18-8-16-17-13(18)11(14)6-9-7-15-12-5-3-2-4-10(9)12/h2-5,7-8,11,15H,6,14H2,1H3/t11-/m1/s1
InChIKeyVCUWZYXMAKHOPS-LLVKDONJSA-N
MW241.30 g/mol
LogP1.54
Rot. Bonds3

About (1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

(1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104911668) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is (1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104911668
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name(1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCn1cnnc1[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H15N5/c1-18-8-16-17-13(18)11(14)6-9-7-15-12-5-3-2-4-10(9)12/h2-5,7-8,11,15H,6,14H2,1H3/t11-/m1/s1
InChIKeyVCUWZYXMAKHOPS-LLVKDONJSA-N
XLogP1.54
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104911691
(1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 104911687
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1-(1H-indol-3-yl)butan-2-amine
CID 8367
3-[[5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one
CID 23790020
(1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 104911666
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
CID 90360713
CID 90360713
2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide
CID 114350844
(1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine
CID 82387349
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of (1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 104911668) is (1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for (1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for (1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is Cn1cnnc1[C@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is VCUWZYXMAKHOPS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N5/c1-18-8-16-17-13(18)11(14)6-9-7-15-12-5-3-2-4-10(9)12/h2-5,7-8,11,15H,6,14H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
(1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 241.30 g/mol, XLogP of 1.54, 3 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-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104911668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).