4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile

C19H16N6 — CID 112969500

IUPAC4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
SMILESCC1Cc2ccccc2N1c1cnnc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C19H16N6/c1-13-10-15-4-2-3-5-17(15)25(13)18-12-21-24-19(23-18)22-16-8-6-14(11-20)7-9-16/h2-9,12-13H,10H2,1H3,(H,22,23,24)
InChIKeyXAMNCNMPVPVZLI-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.57
Rot. Bonds3

About 4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile

4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile (PubChem CID 112969500) has the molecular formula C19H16N6 and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
PubChem CID112969500
Molecular FormulaC19H16N6
Molecular Weight328.38 g/mol
Exact Mass328.14
IUPAC Name4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
SMILESCC1Cc2ccccc2N1c1cnnc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C19H16N6/c1-13-10-15-4-2-3-5-17(15)25(13)18-12-21-24-19(23-18)22-16-8-6-14(11-20)7-9-16/h2-9,12-13H,10H2,1H3,(H,22,23,24)
InChIKeyXAMNCNMPVPVZLI-UHFFFAOYSA-N
XLogP3.57
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112965361
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-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine
CID 112968929
4-[[5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112962656
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-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine
CID 112964738
N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112941020
5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine
CID 112948181
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112902001
N-[(2-methoxyphenyl)methyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112951004
N-[2-(4-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112954535
N-(4-cyanophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109200837

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile?
The IUPAC name of 4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile (CID 112969500) is 4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile?
The canonical SMILES for 4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile is CC1Cc2ccccc2N1c1cnnc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile?
The InChIKey is XAMNCNMPVPVZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6/c1-13-10-15-4-2-3-5-17(15)25(13)18-12-21-24-19(23-18)22-16-8-6-14(11-20)7-9-16/h2-9,12-13H,10H2,1H3,(H,22,23,24).
What are the key properties of 4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile?
4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile has a molecular weight of 328.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile is sourced from PubChem (CID 112969500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).