6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine

C6H7ClF2N4 — CID 171763678

IUPAC6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine
SMILESCc1nc(NCC(F)F)nnc1Cl
InChIInChI=1S/C6H7ClF2N4/c1-3-5(7)12-13-6(11-3)10-2-4(8)9/h4H,2H2,1H3,(H,10,11,13)
InChIKeyJHRIVXNNOFTQOY-UHFFFAOYSA-N
MW208.60 g/mol
LogP1.51
Rot. Bonds3

About 6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine

6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine (PubChem CID 171763678) has the molecular formula C6H7ClF2N4 and a molecular weight of 208.60 g/mol. Its IUPAC name is 6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine
PubChem CID171763678
Molecular FormulaC6H7ClF2N4
Molecular Weight208.60 g/mol
Exact Mass208.03
IUPAC Name6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine
SMILESCc1nc(NCC(F)F)nnc1Cl
InChIInChI=1S/C6H7ClF2N4/c1-3-5(7)12-13-6(11-3)10-2-4(8)9/h4H,2H2,1H3,(H,10,11,13)
InChIKeyJHRIVXNNOFTQOY-UHFFFAOYSA-N
XLogP1.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.60
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine (CID 171763678) is 6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine is Cc1nc(NCC(F)F)nnc1Cl.
What is the InChIKey of 6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine?
The InChIKey is JHRIVXNNOFTQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N4/c1-3-5(7)12-13-6(11-3)10-2-4(8)9/h4H,2H2,1H3,(H,10,11,13).
What are the key properties of 6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine?
6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine has a molecular weight of 208.60 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 171763678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).