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

C19H19N5 — CID 112949104

IUPAC5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine
SMILESCC(Nc1nncc(N2CCc3ccccc32)n1)c1ccccc1
InChIInChI=1S/C19H19N5/c1-14(15-7-3-2-4-8-15)21-19-22-18(13-20-23-19)24-12-11-16-9-5-6-10-17(16)24/h2-10,13-14H,11-12H2,1H3,(H,21,22,23)
InChIKeyYZWGOORWKYOAGC-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.74
Rot. Bonds4

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

5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine (PubChem CID 112949104) 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-(1-phenylethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine
PubChem CID112949104
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine
SMILESCC(Nc1nncc(N2CCc3ccccc32)n1)c1ccccc1
InChIInChI=1S/C19H19N5/c1-14(15-7-3-2-4-8-15)21-19-22-18(13-20-23-19)24-12-11-16-9-5-6-10-17(16)24/h2-10,13-14H,11-12H2,1H3,(H,21,22,23)
InChIKeyYZWGOORWKYOAGC-UHFFFAOYSA-N
XLogP3.74
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine
CID 112948938
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938585
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
CID 112959687
5-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943561
N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112962579
N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112959267
5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine
CID 112962568
4-[[5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112962656
5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine
CID 112962623
5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945318
4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883419

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine (CID 112949104) is 5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine is CC(Nc1nncc(N2CCc3ccccc32)n1)c1ccccc1.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine?
The InChIKey is YZWGOORWKYOAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-14(15-7-3-2-4-8-15)21-19-22-18(13-20-23-19)24-12-11-16-9-5-6-10-17(16)24/h2-10,13-14H,11-12H2,1H3,(H,21,22,23).
What are the key properties of 5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine?
5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine has a molecular weight of 317.40 g/mol, XLogP of 3.74, 4 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-(1-phenylethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112949104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).