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

C14H17N5 — CID 104911671

IUPAC(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethanamine
SMILESCCn1cnnc1[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H17N5/c1-2-19-9-17-18-14(19)12(15)7-10-8-16-13-6-4-3-5-11(10)13/h3-6,8-9,12,16H,2,7,15H2,1H3/t12-/m1/s1
InChIKeyLFKRPPIISMNCOP-GFCCVEGCSA-N
MW255.32 g/mol
LogP2.02
Rot. Bonds4

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

(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethanamine (PubChem CID 104911671) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethanamine
PubChem CID104911671
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethanamine
SMILESCCn1cnnc1[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H17N5/c1-2-19-9-17-18-14(19)12(15)7-10-8-16-13-6-4-3-5-11(10)13/h3-6,8-9,12,16H,2,7,15H2,1H3/t12-/m1/s1
InChIKeyLFKRPPIISMNCOP-GFCCVEGCSA-N
XLogP2.02
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104911668
1-(1H-indol-3-yl)butan-2-amine
CID 8367
(S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine
CID 94552562
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine
CID 143255366
(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
(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)-1-(4-ethyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethanamine (CID 104911671) is (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethanamine is CCn1cnnc1[C@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethanamine?
The InChIKey is LFKRPPIISMNCOP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N5/c1-2-19-9-17-18-14(19)12(15)7-10-8-16-13-6-4-3-5-11(10)13/h3-6,8-9,12,16H,2,7,15H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethanamine?
(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethanamine has a molecular weight of 255.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 104911671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).