6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine

C15H23N5 — CID 62117773

IUPAC6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
SMILESCC(c1nncn1C)n1ccc2c1CC(C)(C)CC2N
InChIInChI=1S/C15H23N5/c1-10(14-18-17-9-19(14)4)20-6-5-11-12(16)7-15(2,3)8-13(11)20/h5-6,9-10,12H,7-8,16H2,1-4H3
InChIKeyOFOOOVDWWJGFTR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.20
Rot. Bonds2

About 6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine

6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine (PubChem CID 62117773) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
PubChem CID62117773
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
SMILESCC(c1nncn1C)n1ccc2c1CC(C)(C)CC2N
InChIInChI=1S/C15H23N5/c1-10(14-18-17-9-19(14)4)20-6-5-11-12(16)7-15(2,3)8-13(11)20/h5-6,9-10,12H,7-8,16H2,1-4H3
InChIKeyOFOOOVDWWJGFTR-UHFFFAOYSA-N
XLogP2.20
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine (CID 62117773) is 6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine is CC(c1nncn1C)n1ccc2c1CC(C)(C)CC2N.
What is the InChIKey of 6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The InChIKey is OFOOOVDWWJGFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-10(14-18-17-9-19(14)4)20-6-5-11-12(16)7-15(2,3)8-13(11)20/h5-6,9-10,12H,7-8,16H2,1-4H3.
What are the key properties of 6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine?
6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 62117773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).