3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine

C7H7Cl2F3N4 — CID 81035201

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

About 3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine

3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine (PubChem CID 81035201) has the molecular formula C7H7Cl2F3N4 and a molecular weight of 275.06 g/mol. Its IUPAC name is 3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
PubChem CID81035201
Molecular FormulaC7H7Cl2F3N4
Molecular Weight275.06 g/mol
Exact Mass274.00
IUPAC Name3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
SMILESCN(CCC(F)(F)F)c1nc(Cl)nnc1Cl
InChIInChI=1S/C7H7Cl2F3N4/c1-16(3-2-7(10,11)12)5-4(8)14-15-6(9)13-5/h2-3H2,1H3
InChIKeyOCJRJNAFDFMTNA-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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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine (CID 81035201) is 3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine is CN(CCC(F)(F)F)c1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine?
The InChIKey is OCJRJNAFDFMTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2F3N4/c1-16(3-2-7(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-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-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-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81035201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).