3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine

C8H7Cl2F3N4 — CID 81036533

IUPAC3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
SMILESFC(F)(F)CN(c1nc(Cl)nnc1Cl)C1CC1
InChIInChI=1S/C8H7Cl2F3N4/c9-5-6(14-7(10)16-15-5)17(4-1-2-4)3-8(11,12)13/h4H,1-3H2
InChIKeyIGCUTTSVZPHUNU-UHFFFAOYSA-N
MW287.07 g/mol
LogP2.71
Rot. Bonds3

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

3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine (PubChem CID 81036533) has the molecular formula C8H7Cl2F3N4 and a molecular weight of 287.07 g/mol. Its IUPAC name is 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
PubChem CID81036533
Molecular FormulaC8H7Cl2F3N4
Molecular Weight287.07 g/mol
Exact Mass286.00
IUPAC Name3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
SMILESFC(F)(F)CN(c1nc(Cl)nnc1Cl)C1CC1
InChIInChI=1S/C8H7Cl2F3N4/c9-5-6(14-7(10)16-15-5)17(4-1-2-4)3-8(11,12)13/h4H,1-3H2
InChIKeyIGCUTTSVZPHUNU-UHFFFAOYSA-N
XLogP2.71
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.07
LogP ≤ 52.71
H-Bond Donors ≤ 50
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,N-di(propan-2-yl)-1,2,4-triazin-5-amine
CID 13073048
3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81035201
3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81035504
3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81036095
3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81036135
3,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81036745
3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81036746
3,6-dichloro-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81037431
3,6-Dichloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazine
CID 81037814
3,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-5-amine
CID 105938522
3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-5-amine
CID 106214745

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine (CID 81036533) is 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine is FC(F)(F)CN(c1nc(Cl)nnc1Cl)C1CC1.
What is the InChIKey of 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The InChIKey is IGCUTTSVZPHUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F3N4/c9-5-6(14-7(10)16-15-5)17(4-1-2-4)3-8(11,12)13/h4H,1-3H2.
What are the key properties of 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine has a molecular weight of 287.07 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81036533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).