N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine

C10H9F3N4 — CID 112596568

IUPACN,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2c(F)cc(F)cc2F)n1C
InChIInChI=1S/C10H9F3N4/c1-14-10-16-15-9(17(10)2)8-6(12)3-5(11)4-7(8)13/h3-4H,1-2H3,(H,14,16)
InChIKeyCTSYZOHNJWIFKW-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.94
Rot. Bonds2

About N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine

N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine (PubChem CID 112596568) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine
PubChem CID112596568
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC NameN,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2c(F)cc(F)cc2F)n1C
InChIInChI=1S/C10H9F3N4/c1-14-10-16-15-9(17(10)2)8-6(12)3-5(11)4-7(8)13/h3-4H,1-2H3,(H,14,16)
InChIKeyCTSYZOHNJWIFKW-UHFFFAOYSA-N
XLogP1.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine (CID 112596568) is N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine is CNc1nnc(-c2c(F)cc(F)cc2F)n1C.
What is the InChIKey of N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine?
The InChIKey is CTSYZOHNJWIFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c1-14-10-16-15-9(17(10)2)8-6(12)3-5(11)4-7(8)13/h3-4H,1-2H3,(H,14,16).
What are the key properties of N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine?
N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine has a molecular weight of 242.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).