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

C7H7Cl2F3N4 — CID 81036135

IUPAC3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
SMILESCCN(CC(F)(F)F)c1nc(Cl)nnc1Cl
InChIInChI=1S/C7H7Cl2F3N4/c1-2-16(3-7(10,11)12)5-4(8)14-15-6(9)13-5/h2-3H2,1H3
InChIKeySFYCYVRZXYRVJQ-UHFFFAOYSA-N
MW275.06 g/mol
LogP2.57
Rot. Bonds3

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

3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine (PubChem CID 81036135) has the molecular formula C7H7Cl2F3N4 and a molecular weight of 275.06 g/mol. Its IUPAC name is 3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
PubChem CID81036135
Molecular FormulaC7H7Cl2F3N4
Molecular Weight275.06 g/mol
Exact Mass274.00
IUPAC Name3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
SMILESCCN(CC(F)(F)F)c1nc(Cl)nnc1Cl
InChIInChI=1S/C7H7Cl2F3N4/c1-2-16(3-7(10,11)12)5-4(8)14-15-6(9)13-5/h2-3H2,1H3
InChIKeySFYCYVRZXYRVJQ-UHFFFAOYSA-N
XLogP2.57
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.06
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Bis(diethylamino)-6-fluoro-1,2,4-triazine
CID 12927217
5-Diethylamino-3,6-difluoro-1,2,4-triazine
CID 129862231
3-N,3-N-dimethyl-5-N,5-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,5,6-triamine
CID 134876069
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,N-diethyl-1,2,4-triazin-5-amine
CID 13073052
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-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81036533
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

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine (CID 81036135) is 3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine is CCN(CC(F)(F)F)c1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The InChIKey is SFYCYVRZXYRVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2F3N4/c1-2-16(3-7(10,11)12)5-4(8)14-15-6(9)13-5/h2-3H2,1H3.
What are the key properties of 3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine has a molecular weight of 275.06 g/mol, XLogP of 2.57, 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-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81036135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).