1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole

C12H10Cl2N4 — CID 81037118

IUPAC1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1nc(Cl)nnc1Cl
InChIInChI=1S/C12H10Cl2N4/c1-7-6-8-4-2-3-5-9(8)18(7)11-10(13)16-17-12(14)15-11/h2-5,7H,6H2,1H3
InChIKeyHXLCTMZODVUSPT-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.26
Rot. Bonds1

About 1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole

1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole (PubChem CID 81037118) has the molecular formula C12H10Cl2N4 and a molecular weight of 281.15 g/mol. Its IUPAC name is 1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole
PubChem CID81037118
Molecular FormulaC12H10Cl2N4
Molecular Weight281.15 g/mol
Exact Mass280.03
IUPAC Name1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1nc(Cl)nnc1Cl
InChIInChI=1S/C12H10Cl2N4/c1-7-6-8-4-2-3-5-9(8)18(7)11-10(13)16-17-12(14)15-11/h2-5,7H,6H2,1H3
InChIKeyHXLCTMZODVUSPT-UHFFFAOYSA-N
XLogP3.26
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole 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

1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 79075954
2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole
CID 102749863
1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 80974333
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 80754131
1-(6-chloro-5-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 55229861
3-(2-methyl-2,3-dihydroindol-1-yl)quinoxalin-2-amine
CID 102985070
4-chloro-N,N-dimethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 62869999
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carbaldehyde
CID 66336040
4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
CID 80687390
2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-imidazol-5-amine
CID 55012468
4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687417
1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 80943520

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole (CID 81037118) is 1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1c1nc(Cl)nnc1Cl.
What is the InChIKey of 1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole?
The InChIKey is HXLCTMZODVUSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4/c1-7-6-8-4-2-3-5-9(8)18(7)11-10(13)16-17-12(14)15-11/h2-5,7H,6H2,1H3.
What are the key properties of 1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole?
1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole has a molecular weight of 281.15 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 81037118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).