1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine

C13H19N5 — CID 55037794

IUPAC1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine
SMILESCC(c1nncn1C)n1ccc2c1CCCC2N
InChIInChI=1S/C13H19N5/c1-9(13-16-15-8-17(13)2)18-7-6-10-11(14)4-3-5-12(10)18/h6-9,11H,3-5,14H2,1-2H3
InChIKeyAHRNNBBDVWJHAX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.56
Rot. Bonds2

About 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine

1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 55037794) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine
PubChem CID55037794
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine
SMILESCC(c1nncn1C)n1ccc2c1CCCC2N
InChIInChI=1S/C13H19N5/c1-9(13-16-15-8-17(13)2)18-7-6-10-11(14)4-3-5-12(10)18/h6-9,11H,3-5,14H2,1-2H3
InChIKeyAHRNNBBDVWJHAX-UHFFFAOYSA-N
XLogP1.56
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine (CID 55037794) is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine is CC(c1nncn1C)n1ccc2c1CCCC2N.
What is the InChIKey of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is AHRNNBBDVWJHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9(13-16-15-8-17(13)2)18-7-6-10-11(14)4-3-5-12(10)18/h6-9,11H,3-5,14H2,1-2H3.
What are the key properties of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine?
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 55037794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).