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

C4H4F3N5 — CID 12806

IUPAC6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C4H4F3N5/c5-4(6,7)1-10-2(8)12-3(9)11-1/h(H4,8,9,10,11,12)
InChIKeyAQTPBZVFBFDGDY-UHFFFAOYSA-N
MW179.10 g/mol
LogP0.05
Rot. Bonds

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

6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 12806) has the molecular formula C4H4F3N5 and a molecular weight of 179.10 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID12806
Molecular FormulaC4H4F3N5
Molecular Weight179.10 g/mol
Exact Mass179.04
IUPAC Name6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C4H4F3N5/c5-4(6,7)1-10-2(8)12-3(9)11-1/h(H4,8,9,10,11,12)
InChIKeyAQTPBZVFBFDGDY-UHFFFAOYSA-N
XLogP0.05
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 199948
2,4,6-Tris(trifluoromethyl)-1,3,5-triazine
CID 9715
s-Triazine, 2-amino-4-methyl-6-(trifluoromethyl)-
CID 168866
4-Chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 22244964
4-Chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine
CID 79006197
2,4-Difluoro-6-(trifluoromethyl)-S-triazine
CID 9713
2-Fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 12859
4,6-Bis(trifluoromethyl)-1,3,5-triazin-2-amine
CID 34493
2,4-Dichloro-6-(trifluoromethyl)-1,3,5-triazine
CID 129978920
2-trifluoromethyl-4-(N-dichloroamino)-6-amino-s-triazine
CID 129791092
2-Trifluoromethyl-4-dibromoamino-6-bromoamino-s-triazine
CID 129791411
6-(Difluoromethyl)-1,3,5-triazine-2,4-diamine
CID 44725305

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 12806) is 6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is AQTPBZVFBFDGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N5/c5-4(6,7)1-10-2(8)12-3(9)11-1/h(H4,8,9,10,11,12).
What are the key properties of 6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 179.10 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 12806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).