N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C15H14ClN5 — CID 65028737

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NC3c4ccccc4CC3Cl)nccn12
InChIInChI=1S/C15H14ClN5/c1-9-19-20-15-14(17-6-7-21(9)15)18-13-11-5-3-2-4-10(11)8-12(13)16/h2-7,12-13H,8H2,1H3,(H,17,18)
InChIKeyTUHDZCRRTHLQBW-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.75
Rot. Bonds2

About N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 65028737) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID65028737
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NC3c4ccccc4CC3Cl)nccn12
InChIInChI=1S/C15H14ClN5/c1-9-19-20-15-14(17-6-7-21(9)15)18-13-11-5-3-2-4-10(11)8-12(13)16/h2-7,12-13H,8H2,1H3,(H,17,18)
InChIKeyTUHDZCRRTHLQBW-UHFFFAOYSA-N
XLogP2.75
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-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-(3-chloro-2,2-dimethylcyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 114632035
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyrimidin-4-amine
CID 65028479
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine
CID 65028225
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine
CID 65028168
3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid
CID 66030575
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine
CID 65277345
2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid
CID 64818022
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine
CID 115975685
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine
CID 65028482
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 112651365
3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
CID 114983465

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 65028737) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1nnc2c(NC3c4ccccc4CC3Cl)nccn12.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is TUHDZCRRTHLQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-9-19-20-15-14(17-6-7-21(9)15)18-13-11-5-3-2-4-10(11)8-12(13)16/h2-7,12-13H,8H2,1H3,(H,17,18).
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 299.77 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 65028737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).