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

C21H22N6O — CID 112962623

IUPAC5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine
SMILESc1ccc2c(c1)CCN2c1cnnc(Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C21H22N6O/c1-3-7-18-16(5-1)9-10-27(18)20-15-22-25-21(24-20)23-17-6-2-4-8-19(17)26-11-13-28-14-12-26/h1-8,15H,9-14H2,(H,23,24,25)
InChIKeyYYLOUPFOSIPOFU-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.15
Rot. Bonds4

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

5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine (PubChem CID 112962623) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine
PubChem CID112962623
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine
SMILESc1ccc2c(c1)CCN2c1cnnc(Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C21H22N6O/c1-3-7-18-16(5-1)9-10-27(18)20-15-22-25-21(24-20)23-17-6-2-4-8-19(17)26-11-13-28-14-12-26/h1-8,15H,9-14H2,(H,23,24,25)
InChIKeyYYLOUPFOSIPOFU-UHFFFAOYSA-N
XLogP3.15
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine
CID 112962568
5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945318
N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112962579
5-N-(2-fluorophenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112965414
4-[[5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112962656
5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962217
5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938585
3-N-(2-morpholin-4-ylphenyl)-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939635
5-N-(2,3-dimethylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963863
N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112959267
5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine
CID 112949104
5-N-(3,4-difluorophenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112969000

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine (CID 112962623) is 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine is c1ccc2c(c1)CCN2c1cnnc(Nc2ccccc2N2CCOCC2)n1.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is YYLOUPFOSIPOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-3-7-18-16(5-1)9-10-27(18)20-15-22-25-21(24-20)23-17-6-2-4-8-19(17)26-11-13-28-14-12-26/h1-8,15H,9-14H2,(H,23,24,25).
What are the key properties of 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine?
5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 374.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112962623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).