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

C18H17N5 — CID 112962359

IUPAC3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine
SMILESCN(c1ccccc1)c1cnnc(N2CCc3ccccc32)n1
InChIInChI=1S/C18H17N5/c1-22(15-8-3-2-4-9-15)17-13-19-21-18(20-17)23-12-11-14-7-5-6-10-16(14)23/h2-10,13H,11-12H2,1H3
InChIKeyHKIGEENCCNXKFJ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.33
Rot. Bonds3

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

3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine (PubChem CID 112962359) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine
PubChem CID112962359
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine
SMILESCN(c1ccccc1)c1cnnc(N2CCc3ccccc32)n1
InChIInChI=1S/C18H17N5/c1-22(15-8-3-2-4-9-15)17-13-19-21-18(20-17)23-12-11-14-7-5-6-10-16(14)23/h2-10,13H,11-12H2,1H3
InChIKeyHKIGEENCCNXKFJ-UHFFFAOYSA-N
XLogP3.33
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112962725
3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine
CID 112961359
3-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethyl-1,2,4-triazin-5-amine
CID 112958207
3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine
CID 112948938
N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957952
1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole
CID 112957347
N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112960710
N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112941511
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112890854
3-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazin-5-amine
CID 112958669
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-(2,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112962664

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine (CID 112962359) is 3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine is CN(c1ccccc1)c1cnnc(N2CCc3ccccc32)n1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine?
The InChIKey is HKIGEENCCNXKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-22(15-8-3-2-4-9-15)17-13-19-21-18(20-17)23-12-11-14-7-5-6-10-16(14)23/h2-10,13H,11-12H2,1H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine?
3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine has a molecular weight of 303.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112962359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).