5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine

C20H21N5 — CID 112948181

IUPAC5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine
SMILESCc1ccccc1CNc1nncc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C20H21N5/c1-14-7-3-4-9-17(14)12-21-20-23-19(13-22-24-20)25-15(2)11-16-8-5-6-10-18(16)25/h3-10,13,15H,11-12H2,1-2H3,(H,21,23,24)
InChIKeyQAOAKWDMAVPUFL-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.87
Rot. Bonds4

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

5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine (PubChem CID 112948181) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine
PubChem CID112948181
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine
SMILESCc1ccccc1CNc1nncc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C20H21N5/c1-14-7-3-4-9-17(14)12-21-20-23-19(13-22-24-20)25-15(2)11-16-8-5-6-10-18(16)25/h3-10,13,15H,11-12H2,1-2H3,(H,21,23,24)
InChIKeyQAOAKWDMAVPUFL-UHFFFAOYSA-N
XLogP3.87
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112951004
4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889950
N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112941020
N-[2-(4-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112954535
N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112965361
5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine
CID 112969505
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112969051
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine
CID 112964738
4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112969500
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine
CID 112968929
5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280070
N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112950861

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine (CID 112948181) is 5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine is Cc1ccccc1CNc1nncc(N2c3ccccc3CC2C)n1.
What is the InChIKey of 5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is QAOAKWDMAVPUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-14-7-3-4-9-17(14)12-21-20-23-19(13-22-24-20)25-15(2)11-16-8-5-6-10-18(16)25/h3-10,13,15H,11-12H2,1-2H3,(H,21,23,24).
What are the key properties of 5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine?
5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 331.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 112948181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).