N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine

C20H20ClN5 — CID 112966744

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
SMILESCc1cc(C)c(Nc2cnnc(N3c4ccccc4CC3C)n2)c(Cl)c1
InChIInChI=1S/C20H20ClN5/c1-12-8-13(2)19(16(21)9-12)23-18-11-22-25-20(24-18)26-14(3)10-15-6-4-5-7-17(15)26/h4-9,11,14H,10H2,1-3H3,(H,23,24,25)
InChIKeyTZNHWLRICWZFQY-UHFFFAOYSA-N
MW365.87 g/mol
LogP4.97
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine

N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112966744) has the molecular formula C20H20ClN5 and a molecular weight of 365.87 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
PubChem CID112966744
Molecular FormulaC20H20ClN5
Molecular Weight365.87 g/mol
Exact Mass365.14
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
SMILESCc1cc(C)c(Nc2cnnc(N3c4ccccc4CC3C)n2)c(Cl)c1
InChIInChI=1S/C20H20ClN5/c1-12-8-13(2)19(16(21)9-12)23-18-11-22-25-20(24-18)26-14(3)10-15-6-4-5-7-17(15)26/h4-9,11,14H,10H2,1-3H3,(H,23,24,25)
InChIKeyTZNHWLRICWZFQY-UHFFFAOYSA-N
XLogP4.97
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-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-(5-chloro-2-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112966302
N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112969508
3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine
CID 112969041
N-[2-(3-chlorophenyl)ethyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112961100
N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112928303
N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112950861
N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112929830
4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine
CID 112944196
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112906637
5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine
CID 112969505
3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-(2-chloro-4,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951500
5-N-(2-chloro-4,6-dimethylphenyl)-3-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948800

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine (CID 112966744) is N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine is Cc1cc(C)c(Nc2cnnc(N3c4ccccc4CC3C)n2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is TZNHWLRICWZFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5/c1-12-8-13(2)19(16(21)9-12)23-18-11-22-25-20(24-18)26-14(3)10-15-6-4-5-7-17(15)26/h4-9,11,14H,10H2,1-3H3,(H,23,24,25).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 365.87 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112966744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).