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

C19H19N5 — CID 112948938

IUPAC3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine
SMILESCC(Nc1cnnc(N2CCc3ccccc32)n1)c1ccccc1
InChIInChI=1S/C19H19N5/c1-14(15-7-3-2-4-8-15)21-18-13-20-23-19(22-18)24-12-11-16-9-5-6-10-17(16)24/h2-10,13-14H,11-12H2,1H3,(H,21,22,23)
InChIKeyFPIXPAUKDZTZNM-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.74
Rot. Bonds4

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

3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine (PubChem CID 112948938) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine
PubChem CID112948938
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine
SMILESCC(Nc1cnnc(N2CCc3ccccc32)n1)c1ccccc1
InChIInChI=1S/C19H19N5/c1-14(15-7-3-2-4-8-15)21-18-13-20-23-19(22-18)24-12-11-16-9-5-6-10-17(16)24/h2-10,13-14H,11-12H2,1H3,(H,21,22,23)
InChIKeyFPIXPAUKDZTZNM-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

5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine
CID 112949104
N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112941511
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine
CID 112948909
3-(2,3-dihydroindol-1-yl)-N-(2,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112962664
3-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazin-5-amine
CID 112962724
3-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-1,2,4-triazin-5-amine
CID 112954857
3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine
CID 112962359
N-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112962734
3-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazin-5-amine
CID 112958669
N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine
CID 112939966
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 112962871
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112962856

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine (CID 112948938) is 3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine is CC(Nc1cnnc(N2CCc3ccccc32)n1)c1ccccc1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine?
The InChIKey is FPIXPAUKDZTZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-14(15-7-3-2-4-8-15)21-18-13-20-23-19(22-18)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 3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine?
3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-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 3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112948938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).