3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine

C7H5Cl2F3N4 — CID 106214745

IUPAC3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine
SMILESFC(F)(F)C1(Nc2nc(Cl)nnc2Cl)CC1
InChIInChI=1S/C7H5Cl2F3N4/c8-3-4(13-5(9)16-15-3)14-6(1-2-6)7(10,11)12/h1-2H2,(H,13,14,16)
InChIKeyGKRXOKUDVKGJCT-UHFFFAOYSA-N
MW273.05 g/mol
LogP2.69
Rot. Bonds2

About 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine

3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine (PubChem CID 106214745) has the molecular formula C7H5Cl2F3N4 and a molecular weight of 273.05 g/mol. Its IUPAC name is 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine
PubChem CID106214745
Molecular FormulaC7H5Cl2F3N4
Molecular Weight273.05 g/mol
Exact Mass271.98
IUPAC Name3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine
SMILESFC(F)(F)C1(Nc2nc(Cl)nnc2Cl)CC1
InChIInChI=1S/C7H5Cl2F3N4/c8-3-4(13-5(9)16-15-3)14-6(1-2-6)7(10,11)12/h1-2H2,(H,13,14,16)
InChIKeyGKRXOKUDVKGJCT-UHFFFAOYSA-N
XLogP2.69
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.05
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-N-[2-(3,3,3-trifluoropropylamino)ethyl]-1,2,4-triazine-3,5-diamine
CID 118190556
3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81035504
3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81036533
3,6-dichloro-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81037431
3,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-5-amine
CID 105938522
3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine
CID 106293343
3,6-dichloro-N-(2,2-difluoroethyl)-1,2,4-triazin-5-amine
CID 115408234
3,6-dichloro-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-5-amine
CID 115521557
3,6-dichloro-N-(3,3-difluorobutyl)-1,2,4-triazin-5-amine
CID 130612462
3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine
CID 130631788
N-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine
CID 13055458
3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine
CID 14774768

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine (CID 106214745) is 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine is FC(F)(F)C1(Nc2nc(Cl)nnc2Cl)CC1.
What is the InChIKey of 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine?
The InChIKey is GKRXOKUDVKGJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F3N4/c8-3-4(13-5(9)16-15-3)14-6(1-2-6)7(10,11)12/h1-2H2,(H,13,14,16).
What are the key properties of 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine?
3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine has a molecular weight of 273.05 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 106214745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).