2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C8H8Cl2F3N5O — CID 87784505

IUPAC2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1nc(Cl)nc(Cl)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H8Cl2F3N5O/c1-3(4(19)14-2-8(11,12)13)15-7-17-5(9)16-6(10)18-7/h3H,2H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyZUOGBSVYAKHHCN-UHFFFAOYSA-N
MW318.09 g/mol
LogP1.66
Rot. Bonds4

About 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 87784505) has the molecular formula C8H8Cl2F3N5O and a molecular weight of 318.09 g/mol. Its IUPAC name is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID87784505
Molecular FormulaC8H8Cl2F3N5O
Molecular Weight318.09 g/mol
Exact Mass317.01
IUPAC Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1nc(Cl)nc(Cl)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H8Cl2F3N5O/c1-3(4(19)14-2-8(11,12)13)15-7-17-5(9)16-6(10)18-7/h3H,2H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyZUOGBSVYAKHHCN-UHFFFAOYSA-N
XLogP1.66
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.09
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 87784505) is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(Nc1nc(Cl)nc(Cl)n1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ZUOGBSVYAKHHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2F3N5O/c1-3(4(19)14-2-8(11,12)13)15-7-17-5(9)16-6(10)18-7/h3H,2H2,1H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 318.09 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 87784505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).