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

C17H22N6O — CID 112945318

IUPAC5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
SMILESc1ccc2c(c1)CCN2c1cnnc(NCCN2CCOCC2)n1
InChIInChI=1S/C17H22N6O/c1-2-4-15-14(3-1)5-7-23(15)16-13-19-21-17(20-16)18-6-8-22-9-11-24-12-10-22/h1-4,13H,5-12H2,(H,18,20,21)
InChIKeyMDMGQQRXMGVMDG-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.31
Rot. Bonds5

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

5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine (PubChem CID 112945318) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
PubChem CID112945318
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
SMILESc1ccc2c(c1)CCN2c1cnnc(NCCN2CCOCC2)n1
InChIInChI=1S/C17H22N6O/c1-2-4-15-14(3-1)5-7-23(15)16-13-19-21-17(20-16)18-6-8-22-9-11-24-12-10-22/h1-4,13H,5-12H2,(H,18,20,21)
InChIKeyMDMGQQRXMGVMDG-UHFFFAOYSA-N
XLogP1.31
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine with MolForge

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Related Compounds

5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938585
5-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943561
5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine
CID 112962623
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945291
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
CID 112959687
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
CID 112953804
N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112962579
5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945289
N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112959267
1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112945249
5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine
CID 112949104
3-N-(2-morpholin-4-ylethyl)-5-N-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112945265

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine (CID 112945318) is 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine is c1ccc2c(c1)CCN2c1cnnc(NCCN2CCOCC2)n1.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine?
The InChIKey is MDMGQQRXMGVMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-2-4-15-14(3-1)5-7-23(15)16-13-19-21-17(20-16)18-6-8-22-9-11-24-12-10-22/h1-4,13H,5-12H2,(H,18,20,21).
What are the key properties of 5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine?
5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine has a molecular weight of 326.40 g/mol, XLogP of 1.31, 5 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-ylethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112945318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).