3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine

C5F8N4 — CID 12633771

IUPAC3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine
SMILESFc1nnc(N(C(F)(F)F)C(F)(F)F)c(F)n1
InChIInChI=1S/C5F8N4/c6-1-2(15-16-3(7)14-1)17(4(8,9)10)5(11,12)13
InChIKeyINQGMQHQRDJKHG-UHFFFAOYSA-N
MW268.07 g/mol
LogP2.00
Rot. Bonds1

About 3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine

3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine (PubChem CID 12633771) has the molecular formula C5F8N4 and a molecular weight of 268.07 g/mol. Its IUPAC name is 3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine.

Molecular Properties

Compound Name3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine
PubChem CID12633771
Molecular FormulaC5F8N4
Molecular Weight268.07 g/mol
Exact Mass268.00
IUPAC Name3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine
SMILESFc1nnc(N(C(F)(F)F)C(F)(F)F)c(F)n1
InChIInChI=1S/C5F8N4/c6-1-2(15-16-3(7)14-1)17(4(8,9)10)5(11,12)13
InChIKeyINQGMQHQRDJKHG-UHFFFAOYSA-N
XLogP2.00
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3,5,6-trifluoro-1,2,4-triazine
CID 12533026
3,6-difluoro-1,2,4-triazin-5-amine
CID 12927215
5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine
CID 3057449
CID 114986666
CID 114986666
N,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide
CID 19751752
2,4,6-trifluoro-5-iodopyrimidine
CID 143789968
5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine
CID 13026342
5-chloro-2,4,6-trifluoropyrimidine;methane
CID 162065377
2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine
CID 12702314
2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
CID 23233407
5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine
CID 15395099
2,4,5-trifluoropyrimidine
CID 12797307

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine?
The IUPAC name of 3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine (CID 12633771) is 3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine.
What is the SMILES notation for 3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine?
The canonical SMILES for 3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine is Fc1nnc(N(C(F)(F)F)C(F)(F)F)c(F)n1.
What is the InChIKey of 3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine?
The InChIKey is INQGMQHQRDJKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F8N4/c6-1-2(15-16-3(7)14-1)17(4(8,9)10)5(11,12)13.
What are the key properties of 3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine?
3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine has a molecular weight of 268.07 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine is sourced from PubChem (CID 12633771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).