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

C10H7ClF3N5 — CID 80762662

IUPAC6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C10H7ClF3N5/c11-7-17-8(15)19-9(18-7)16-6-3-1-2-5(4-6)10(12,13)14/h1-4H,(H3,15,16,17,18,19)
InChIKeyHSTCAMHQTJOORJ-UHFFFAOYSA-N
MW289.65 g/mol
LogP2.87
Rot. Bonds2

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

6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80762662) has the molecular formula C10H7ClF3N5 and a molecular weight of 289.65 g/mol. Its IUPAC name is 6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID80762662
Molecular FormulaC10H7ClF3N5
Molecular Weight289.65 g/mol
Exact Mass289.03
IUPAC Name6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C10H7ClF3N5/c11-7-17-8(15)19-9(18-7)16-6-3-1-2-5(4-6)10(12,13)14/h1-4H,(H3,15,16,17,18,19)
InChIKeyHSTCAMHQTJOORJ-UHFFFAOYSA-N
XLogP2.87
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.65
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80759434
2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 704906
6-ethoxy-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80737984
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 4688948
3-[[4-chloro-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 155667025
6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762147
4-chloro-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 87442280
6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine
CID 79823431
6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carbothioamide
CID 107546239
3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]benzenethiol
CID 167276914
2-N-[(4-chlorophenyl)methylideneamino]-6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 91962055

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 80762662) is 6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is Nc1nc(Cl)nc(Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is HSTCAMHQTJOORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N5/c11-7-17-8(15)19-9(18-7)16-6-3-1-2-5(4-6)10(12,13)14/h1-4H,(H3,15,16,17,18,19).
What are the key properties of 6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 289.65 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80762662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).