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

C24H21N5 — CID 112962725

IUPACN-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine
SMILESc1ccc(CN(c2ccccc2)c2cnnc(N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C24H21N5/c1-3-9-19(10-4-1)18-29(21-12-5-2-6-13-21)23-17-25-27-24(26-23)28-16-15-20-11-7-8-14-22(20)28/h1-14,17H,15-16,18H2
InChIKeyNQPUVDBKTORKJE-UHFFFAOYSA-N
MW379.47 g/mol
LogP4.90
Rot. Bonds5

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

N-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine (PubChem CID 112962725) has the molecular formula C24H21N5 and a molecular weight of 379.47 g/mol. Its IUPAC name is N-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine
PubChem CID112962725
Molecular FormulaC24H21N5
Molecular Weight379.47 g/mol
Exact Mass379.18
IUPAC NameN-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine
SMILESc1ccc(CN(c2ccccc2)c2cnnc(N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C24H21N5/c1-3-9-19(10-4-1)18-29(21-12-5-2-6-13-21)23-17-25-27-24(26-23)28-16-15-20-11-7-8-14-22(20)28/h1-14,17H,15-16,18H2
InChIKeyNQPUVDBKTORKJE-UHFFFAOYSA-N
XLogP4.90
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine
CID 112962359
N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112946090
3-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethyl-1,2,4-triazin-5-amine
CID 112958207
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112890854
5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112958395
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-(1-phenylethyl)-1,2,4-triazin-5-amine
CID 112948938
N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112941511
N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine
CID 112892929
N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 112872223
N-benzyl-N-methyl-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298525
1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole
CID 112957347

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine?
The IUPAC name of N-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine (CID 112962725) is N-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine?
The canonical SMILES for N-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine is c1ccc(CN(c2ccccc2)c2cnnc(N3CCc4ccccc43)n2)cc1.
What is the InChIKey of N-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine?
The InChIKey is NQPUVDBKTORKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5/c1-3-9-19(10-4-1)18-29(21-12-5-2-6-13-21)23-17-25-27-24(26-23)28-16-15-20-11-7-8-14-22(20)28/h1-14,17H,15-16,18H2.
What are the key properties of N-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine?
N-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine has a molecular weight of 379.47 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112962725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).