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

C10H7Cl2FN4 — CID 81035951

IUPAC3,6-dichloro-N-(3-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCN(c1cccc(F)c1)c1nc(Cl)nnc1Cl
InChIInChI=1S/C10H7Cl2FN4/c1-17(7-4-2-3-6(13)5-7)9-8(11)15-16-10(12)14-9/h2-5H,1H3
InChIKeyWINCYJIZHYQDLO-UHFFFAOYSA-N
MW273.10 g/mol
LogP3.09
Rot. Bonds2

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

3,6-dichloro-N-(3-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine (PubChem CID 81035951) has the molecular formula C10H7Cl2FN4 and a molecular weight of 273.10 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(3-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine
PubChem CID81035951
Molecular FormulaC10H7Cl2FN4
Molecular Weight273.10 g/mol
Exact Mass272.00
IUPAC Name3,6-dichloro-N-(3-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCN(c1cccc(F)c1)c1nc(Cl)nnc1Cl
InChIInChI=1S/C10H7Cl2FN4/c1-17(7-4-2-3-6(13)5-7)9-8(11)15-16-10(12)14-9/h2-5H,1H3
InChIKeyWINCYJIZHYQDLO-UHFFFAOYSA-N
XLogP3.09
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 53.09
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-(3-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(3-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine (CID 81035951) is 3,6-dichloro-N-(3-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(3-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(3-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine is CN(c1cccc(F)c1)c1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine?
The InChIKey is WINCYJIZHYQDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN4/c1-17(7-4-2-3-6(13)5-7)9-8(11)15-16-10(12)14-9/h2-5H,1H3.
What are the key properties of 3,6-dichloro-N-(3-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine?
3,6-dichloro-N-(3-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine has a molecular weight of 273.10 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 81035951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).