4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine

C12H12ClN5 — CID 80754131

IUPAC4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
SMILESCC1Cc2ccccc2N1c1nc(N)nc(Cl)n1
InChIInChI=1S/C12H12ClN5/c1-7-6-8-4-2-3-5-9(8)18(7)12-16-10(13)15-11(14)17-12/h2-5,7H,6H2,1H3,(H2,14,15,16,17)
InChIKeyWISYYUTYIZMEEW-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.19
Rot. Bonds1

About 4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine

4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80754131) has the molecular formula C12H12ClN5 and a molecular weight of 261.72 g/mol. Its IUPAC name is 4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80754131
Molecular FormulaC12H12ClN5
Molecular Weight261.72 g/mol
Exact Mass261.08
IUPAC Name4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
SMILESCC1Cc2ccccc2N1c1nc(N)nc(Cl)n1
InChIInChI=1S/C12H12ClN5/c1-7-6-8-4-2-3-5-9(8)18(7)12-16-10(13)15-11(14)17-12/h2-5,7H,6H2,1H3,(H2,14,15,16,17)
InChIKeyWISYYUTYIZMEEW-UHFFFAOYSA-N
XLogP2.19
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine (CID 80754131) is 4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine is CC1Cc2ccccc2N1c1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is WISYYUTYIZMEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5/c1-7-6-8-4-2-3-5-9(8)18(7)12-16-10(13)15-11(14)17-12/h2-5,7H,6H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 261.72 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80754131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).