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

C9H11ClF3N5O — CID 89495477

IUPAC2-[(3-chloro-1,2,4-triazin-5-yl)amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(Nc1cnnc(Cl)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H11ClF3N5O/c1-8(2,6(19)14-4-9(11,12)13)17-5-3-15-18-7(10)16-5/h3H,4H2,1-2H3,(H,14,19)(H,16,17,18)
InChIKeyQUUFYPIHOJAVSL-UHFFFAOYSA-N
MW297.67 g/mol
LogP1.39
Rot. Bonds4

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

2-[(3-chloro-1,2,4-triazin-5-yl)amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 89495477) has the molecular formula C9H11ClF3N5O and a molecular weight of 297.67 g/mol. Its IUPAC name is 2-[(3-chloro-1,2,4-triazin-5-yl)amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(3-chloro-1,2,4-triazin-5-yl)amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID89495477
Molecular FormulaC9H11ClF3N5O
Molecular Weight297.67 g/mol
Exact Mass297.06
IUPAC Name2-[(3-chloro-1,2,4-triazin-5-yl)amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(Nc1cnnc(Cl)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H11ClF3N5O/c1-8(2,6(19)14-4-9(11,12)13)17-5-3-15-18-7(10)16-5/h3H,4H2,1-2H3,(H,14,19)(H,16,17,18)
InChIKeyQUUFYPIHOJAVSL-UHFFFAOYSA-N
XLogP1.39
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-1,2,4-triazin-5-yl)amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(3-chloro-1,2,4-triazin-5-yl)amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 89495477) is 2-[(3-chloro-1,2,4-triazin-5-yl)amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(3-chloro-1,2,4-triazin-5-yl)amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(3-chloro-1,2,4-triazin-5-yl)amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C)(Nc1cnnc(Cl)n1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(3-chloro-1,2,4-triazin-5-yl)amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is QUUFYPIHOJAVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N5O/c1-8(2,6(19)14-4-9(11,12)13)17-5-3-15-18-7(10)16-5/h3H,4H2,1-2H3,(H,14,19)(H,16,17,18).
What are the key properties of 2-[(3-chloro-1,2,4-triazin-5-yl)amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
2-[(3-chloro-1,2,4-triazin-5-yl)amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 297.67 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-1,2,4-triazin-5-yl)amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 89495477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).