N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine

C10H8F3N5 — CID 9714

IUPAC2-N-phenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C(F)(F)F
InChIInChI=1S/C10H8F3N5/c11-10(12,13)7-16-8(14)18-9(17-7)15-6-4-2-1-3-5-6/h1-5H,(H3,14,15,16,17,18)
InChIKeyAEQDCEOQPMWHKU-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.40
Rot. Bonds2

About N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine

N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine (PubChem CID 9714) has the molecular formula C10H8F3N5 and a molecular weight of 255.20 g/mol. Its IUPAC name is 2-N-phenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound NameN-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine
PubChem CID9714
Molecular FormulaC10H8F3N5
Molecular Weight255.20 g/mol
Exact Mass255.07
IUPAC Name2-N-phenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C(F)(F)F
InChIInChI=1S/C10H8F3N5/c11-10(12,13)7-16-8(14)18-9(17-7)15-6-4-2-1-3-5-6/h1-5H,(H3,14,15,16,17,18)
InChIKeyAEQDCEOQPMWHKU-UHFFFAOYSA-N
XLogP2.40
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity267

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Melarsen oxide
CID 30830
Amanozine
CID 10832
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-
CID 16088
6-(chloromethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 34942
N-tert-Butyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 744423
s-Triazine, 2-amino-4-anilino-6-methyl-
CID 23908
2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 2737693
4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35020
6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 840843
N-Allyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 3107858
4-Amino-6-(diphenylamino)-1,3,5-triazine-2-carbonitrile
CID 712283
N-methyl-N'-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 2266465

Frequently Asked Questions

What is the IUPAC name of N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine?
The IUPAC name of N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine (CID 9714) is 2-N-phenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine?
The canonical SMILES for N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine is C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C(F)(F)F.
What is the InChIKey of N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine?
The InChIKey is AEQDCEOQPMWHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5/c11-10(12,13)7-16-8(14)18-9(17-7)15-6-4-2-1-3-5-6/h1-5H,(H3,14,15,16,17,18).
What are the key properties of N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine?
N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine has a molecular weight of 255.20 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine is sourced from PubChem (CID 9714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).