N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine

C18H15Cl2N5 — CID 112969508

IUPACN-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
SMILESCC1Cc2ccccc2N1c1nncc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C18H15Cl2N5/c1-11-8-12-4-2-3-5-16(12)25(11)18-23-17(10-21-24-18)22-15-9-13(19)6-7-14(15)20/h2-7,9-11H,8H2,1H3,(H,22,23,24)
InChIKeyBLLFVCAUSGEXCQ-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.00
Rot. Bonds3

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

N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112969508) has the molecular formula C18H15Cl2N5 and a molecular weight of 372.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
PubChem CID112969508
Molecular FormulaC18H15Cl2N5
Molecular Weight372.26 g/mol
Exact Mass371.07
IUPAC NameN-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
SMILESCC1Cc2ccccc2N1c1nncc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C18H15Cl2N5/c1-11-8-12-4-2-3-5-16(12)25(11)18-23-17(10-21-24-18)22-15-9-13(19)6-7-14(15)20/h2-7,9-11H,8H2,1H3,(H,22,23,24)
InChIKeyBLLFVCAUSGEXCQ-UHFFFAOYSA-N
XLogP5.00
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112966744
N-[2-(3-chlorophenyl)ethyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112961100
3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine
CID 112969041
N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112929830
N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112950861
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112906637
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109269354
4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine
CID 112944196
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 80754131
5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965518
N-(5-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946051

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine (CID 112969508) is N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine is CC1Cc2ccccc2N1c1nncc(Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is BLLFVCAUSGEXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5/c1-11-8-12-4-2-3-5-16(12)25(11)18-23-17(10-21-24-18)22-15-9-13(19)6-7-14(15)20/h2-7,9-11H,8H2,1H3,(H,22,23,24).
What are the key properties of N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 372.26 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112969508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).