N-(2,3-difluorophenyl)triazin-4-amine

C9H6F2N4 — CID 70562838

IUPACN-(2,3-difluorophenyl)triazin-4-amine
SMILESFc1cccc(Nc2ccnnn2)c1F
InChIInChI=1S/C9H6F2N4/c10-6-2-1-3-7(9(6)11)13-8-4-5-12-15-14-8/h1-5H,(H,12,13,14)
InChIKeyAQKLXOFNTXZDND-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.89
Rot. Bonds2

About N-(2,3-difluorophenyl)triazin-4-amine

N-(2,3-difluorophenyl)triazin-4-amine (PubChem CID 70562838) has the molecular formula C9H6F2N4 and a molecular weight of 208.17 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)triazin-4-amine.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)triazin-4-amine
PubChem CID70562838
Molecular FormulaC9H6F2N4
Molecular Weight208.17 g/mol
Exact Mass208.06
IUPAC NameN-(2,3-difluorophenyl)triazin-4-amine
SMILESFc1cccc(Nc2ccnnn2)c1F
InChIInChI=1S/C9H6F2N4/c10-6-2-1-3-7(9(6)11)13-8-4-5-12-15-14-8/h1-5H,(H,12,13,14)
InChIKeyAQKLXOFNTXZDND-UHFFFAOYSA-N
XLogP1.89
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-difluorophenyl)triazin-4-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 N-(2,3-difluorophenyl)triazin-4-amine?
The IUPAC name of N-(2,3-difluorophenyl)triazin-4-amine (CID 70562838) is N-(2,3-difluorophenyl)triazin-4-amine.
What is the SMILES notation for N-(2,3-difluorophenyl)triazin-4-amine?
The canonical SMILES for N-(2,3-difluorophenyl)triazin-4-amine is Fc1cccc(Nc2ccnnn2)c1F.
What is the InChIKey of N-(2,3-difluorophenyl)triazin-4-amine?
The InChIKey is AQKLXOFNTXZDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N4/c10-6-2-1-3-7(9(6)11)13-8-4-5-12-15-14-8/h1-5H,(H,12,13,14).
What are the key properties of N-(2,3-difluorophenyl)triazin-4-amine?
N-(2,3-difluorophenyl)triazin-4-amine has a molecular weight of 208.17 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)triazin-4-amine is sourced from PubChem (CID 70562838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).