5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine

C15H21N5 — CID 83212369

IUPAC5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(Cc1ncnn1C(C)C)CC2
InChIInChI=1S/C15H21N5/c1-10(2)20-15(17-9-18-20)8-19-5-4-12-6-11(3)13(16)7-14(12)19/h6-7,9-10H,4-5,8,16H2,1-3H3
InChIKeyAYXPENUKXHAANS-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.31
Rot. Bonds3

About 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine

5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine (PubChem CID 83212369) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine
PubChem CID83212369
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(Cc1ncnn1C(C)C)CC2
InChIInChI=1S/C15H21N5/c1-10(2)20-15(17-9-18-20)8-19-5-4-12-6-11(3)13(16)7-14(12)19/h6-7,9-10H,4-5,8,16H2,1-3H3
InChIKeyAYXPENUKXHAANS-UHFFFAOYSA-N
XLogP2.31
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 9903932
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-ethyl-1,2,4-triazol-3-yl)aniline
CID 22493263
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline
CID 22493265
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methyl-1H-1,2,4-triazol-5-yl)aniline
CID 22493343
N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 50977142
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 53498267
2-(4-Cyclopentyl-4H-1,2,4-triazol-3-YL)-N-(2,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 124037921
[(5S)-2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-5-yl]methanamine
CID 102590758
(1S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]ethanamine
CID 97323146
1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 136573880
N-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine
CID 156563868
6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole
CID 174680571

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine?
The IUPAC name of 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine (CID 83212369) is 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine is Cc1cc2c(cc1N)N(Cc1ncnn1C(C)C)CC2.
What is the InChIKey of 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine?
The InChIKey is AYXPENUKXHAANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-10(2)20-15(17-9-18-20)8-19-5-4-12-6-11(3)13(16)7-14(12)19/h6-7,9-10H,4-5,8,16H2,1-3H3.
What are the key properties of 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine?
5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine has a molecular weight of 271.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 83212369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).