N,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine

C15H19N5 — CID 10333305

IUPACN,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(Cn3ccnn3)cc12
InChIInChI=1S/C15H19N5/c1-19(2)7-5-13-10-16-15-4-3-12(9-14(13)15)11-20-8-6-17-18-20/h3-4,6,8-10,16H,5,7,11H2,1-2H3
InChIKeyXXDPCAYANNJRPM-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.91
Rot. Bonds5

About N,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine

N,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine (PubChem CID 10333305) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
PubChem CID10333305
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(Cn3ccnn3)cc12
InChIInChI=1S/C15H19N5/c1-19(2)7-5-13-10-16-15-4-3-12(9-14(13)15)11-20-8-6-17-18-20/h3-4,6,8-10,16H,5,7,11H2,1-2H3
InChIKeyXXDPCAYANNJRPM-UHFFFAOYSA-N
XLogP1.91
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine (CID 10333305) is N,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine is CN(C)CCc1c[nH]c2ccc(Cn3ccnn3)cc12.
What is the InChIKey of N,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine?
The InChIKey is XXDPCAYANNJRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-19(2)7-5-13-10-16-15-4-3-12(9-14(13)15)11-20-8-6-17-18-20/h3-4,6,8-10,16H,5,7,11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine has a molecular weight of 269.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10333305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).