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

C13H14ClN5 — CID 80767442

IUPAC4-chloro-6-(2,3-dihydroindol-1-yl)-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C13H14ClN5/c1-2-15-12-16-11(14)17-13(18-12)19-8-7-9-5-3-4-6-10(9)19/h3-6H,2,7-8H2,1H3,(H,15,16,17,18)
InChIKeyFGBYGELAPHBRBN-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.65
Rot. Bonds3

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

4-chloro-6-(2,3-dihydroindol-1-yl)-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 80767442) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-6-(2,3-dihydroindol-1-yl)-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,3-dihydroindol-1-yl)-N-ethyl-1,3,5-triazin-2-amine
PubChem CID80767442
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name4-chloro-6-(2,3-dihydroindol-1-yl)-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C13H14ClN5/c1-2-15-12-16-11(14)17-13(18-12)19-8-7-9-5-3-4-6-10(9)19/h3-6H,2,7-8H2,1H3,(H,15,16,17,18)
InChIKeyFGBYGELAPHBRBN-UHFFFAOYSA-N
XLogP2.65
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-dihydroindol-1-yl)-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,3-dihydroindol-1-yl)-N-ethyl-1,3,5-triazin-2-amine (CID 80767442) is 4-chloro-6-(2,3-dihydroindol-1-yl)-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,3-dihydroindol-1-yl)-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,3-dihydroindol-1-yl)-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(N2CCc3ccccc32)n1.
What is the InChIKey of 4-chloro-6-(2,3-dihydroindol-1-yl)-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is FGBYGELAPHBRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-2-15-12-16-11(14)17-13(18-12)19-8-7-9-5-3-4-6-10(9)19/h3-6H,2,7-8H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-(2,3-dihydroindol-1-yl)-N-ethyl-1,3,5-triazin-2-amine?
4-chloro-6-(2,3-dihydroindol-1-yl)-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 275.74 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-dihydroindol-1-yl)-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80767442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).