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

C15H19N5O — CID 104911687

IUPAC(1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCOCCn1cnnc1[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H19N5O/c1-21-7-6-20-10-18-19-15(20)13(16)8-11-9-17-14-5-3-2-4-12(11)14/h2-5,9-10,13,17H,6-8,16H2,1H3/t13-/m1/s1
InChIKeyIUDIGGQTLYMRNS-CYBMUJFWSA-N
MW285.35 g/mol
LogP1.65
Rot. Bonds6

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

(1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 104911687) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name(1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID104911687
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCOCCn1cnnc1[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H19N5O/c1-21-7-6-20-10-18-19-15(20)13(16)8-11-9-17-14-5-3-2-4-12(11)14/h2-5,9-10,13,17H,6-8,16H2,1H3/t13-/m1/s1
InChIKeyIUDIGGQTLYMRNS-CYBMUJFWSA-N
XLogP1.65
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-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-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104911691
(1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104911668
4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol
CID 104905990
3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 104911563
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561
2-amino-3-(1H-indol-3-yl)propanal;methoxymethane
CID 144925786
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

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of (1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine (CID 104911687) is (1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for (1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for (1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine is COCCn1cnnc1[C@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is IUDIGGQTLYMRNS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N5O/c1-21-7-6-20-10-18-19-15(20)13(16)8-11-9-17-14-5-3-2-4-12(11)14/h2-5,9-10,13,17H,6-8,16H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
(1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 285.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 104911687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).