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

C5H6Cl2N4 — CID 57174949

IUPAC2-(4,6-dichloro-1,3,5-triazin-2-yl)ethanamine
SMILESNCCc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H6Cl2N4/c6-4-9-3(1-2-8)10-5(7)11-4/h1-2,8H2
InChIKeyUKKKDSGSIRIFCW-UHFFFAOYSA-N
MW193.04 g/mol
LogP0.68
Rot. Bonds2

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

2-(4,6-dichloro-1,3,5-triazin-2-yl)ethanamine (PubChem CID 57174949) has the molecular formula C5H6Cl2N4 and a molecular weight of 193.04 g/mol. Its IUPAC name is 2-(4,6-dichloro-1,3,5-triazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4,6-dichloro-1,3,5-triazin-2-yl)ethanamine
PubChem CID57174949
Molecular FormulaC5H6Cl2N4
Molecular Weight193.04 g/mol
Exact Mass192.00
IUPAC Name2-(4,6-dichloro-1,3,5-triazin-2-yl)ethanamine
SMILESNCCc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H6Cl2N4/c6-4-9-3(1-2-8)10-5(7)11-4/h1-2,8H2
InChIKeyUKKKDSGSIRIFCW-UHFFFAOYSA-N
XLogP0.68
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.04
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-1,3,5-triazin-2-yl)ethanamine?
The IUPAC name of 2-(4,6-dichloro-1,3,5-triazin-2-yl)ethanamine (CID 57174949) is 2-(4,6-dichloro-1,3,5-triazin-2-yl)ethanamine.
What is the SMILES notation for 2-(4,6-dichloro-1,3,5-triazin-2-yl)ethanamine?
The canonical SMILES for 2-(4,6-dichloro-1,3,5-triazin-2-yl)ethanamine is NCCc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-(4,6-dichloro-1,3,5-triazin-2-yl)ethanamine?
The InChIKey is UKKKDSGSIRIFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N4/c6-4-9-3(1-2-8)10-5(7)11-4/h1-2,8H2.
What are the key properties of 2-(4,6-dichloro-1,3,5-triazin-2-yl)ethanamine?
2-(4,6-dichloro-1,3,5-triazin-2-yl)ethanamine has a molecular weight of 193.04 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-1,3,5-triazin-2-yl)ethanamine is sourced from PubChem (CID 57174949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).