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

C19H19N5 — CID 112962568

IUPAC5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine
SMILESCc1cccc(Nc2nncc(N3CCc4ccccc43)n2)c1C
InChIInChI=1S/C19H19N5/c1-13-6-5-8-16(14(13)2)21-19-22-18(12-20-23-19)24-11-10-15-7-3-4-9-17(15)24/h3-9,12H,10-11H2,1-2H3,(H,21,22,23)
InChIKeyIROGSBFGTHPEEQ-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.93
Rot. Bonds3

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

5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine (PubChem CID 112962568) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine
PubChem CID112962568
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine
SMILESCc1cccc(Nc2nncc(N3CCc4ccccc43)n2)c1C
InChIInChI=1S/C19H19N5/c1-13-6-5-8-16(14(13)2)21-19-22-18(12-20-23-19)24-11-10-15-7-3-4-9-17(15)24/h3-9,12H,10-11H2,1-2H3,(H,21,22,23)
InChIKeyIROGSBFGTHPEEQ-UHFFFAOYSA-N
XLogP3.93
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine
CID 112962623
N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112962579
5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938585
N-(2-bromo-4-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112962826
N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112962828
4-[[5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112962656
5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine
CID 112949104
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-methylphenyl)-1,2,4-triazin-3-amine
CID 112962799
5-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943561
N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112959267
N-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112962778
4-(2,3-dihydroindol-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112927670

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine (CID 112962568) is 5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine is Cc1cccc(Nc2nncc(N3CCc4ccccc43)n2)c1C.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is IROGSBFGTHPEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-13-6-5-8-16(14(13)2)21-19-22-18(12-20-23-19)24-11-10-15-7-3-4-9-17(15)24/h3-9,12H,10-11H2,1-2H3,(H,21,22,23).
What are the key properties of 5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine?
5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 317.40 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112962568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).