6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine

C10H8F3N5 — CID 23311136

IUPAC6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2ccccc2C(F)(F)F)c(N)n1
InChIInChI=1S/C10H8F3N5/c11-10(12,13)6-4-2-1-3-5(6)7-8(14)16-9(15)18-17-7/h1-4H,(H4,14,15,16,18)
InChIKeyMPUIMIDSLFXPDS-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.72
Rot. Bonds1

About 6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine

6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine (PubChem CID 23311136) has the molecular formula C10H8F3N5 and a molecular weight of 255.20 g/mol. Its IUPAC name is 6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
PubChem CID23311136
Molecular FormulaC10H8F3N5
Molecular Weight255.20 g/mol
Exact Mass255.07
IUPAC Name6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2ccccc2C(F)(F)F)c(N)n1
InChIInChI=1S/C10H8F3N5/c11-10(12,13)6-4-2-1-3-5(6)7-8(14)16-9(15)18-17-7/h1-4H,(H4,14,15,16,18)
InChIKeyMPUIMIDSLFXPDS-UHFFFAOYSA-N
XLogP1.72
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Diphenyl-1,2,4-triazin-3-amine
CID 78268
6-Phenyl-1,2,4-triazin-3-amine
CID 120468
3-Hydrazino-5,6-diphenyl-1,2,4-triazine
CID 601464
3-Chloro-5,6-diphenyl-1,2,4-triazine
CID 288439
N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine
CID 6404618
3-Phenyl-5-(1-pyrrolidinyl)-6-(trifluoromethyl)-1,2,4-triazine
CID 6413293
6-(4-Tert-butylphenyl)-1,2,4-triazine-3,5-diamine
CID 44531117
6-(3,5-Dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53353232
6-(3,3-Dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354728
6-(2-Methyl-6-(trifluoromethyl)pyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine
CID 56964225
5-(4-Fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)pyridin-4-yl]-1,2,4-triazin-3-amine
CID 67364157
6-[2,6-Bis(trifluoromethyl)pyridin-4-yl]-5-phenyl-1,2,4-triazin-3-amine
CID 71716516

Frequently Asked Questions

What is the IUPAC name of 6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine (CID 23311136) is 6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine is Nc1nnc(-c2ccccc2C(F)(F)F)c(N)n1.
What is the InChIKey of 6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is MPUIMIDSLFXPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5/c11-10(12,13)6-4-2-1-3-5(6)7-8(14)16-9(15)18-17-7/h1-4H,(H4,14,15,16,18).
What are the key properties of 6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine?
6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 255.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 23311136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).