3,6-dichloro-N-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine

C10H7Cl2FN4 — CID 81035860

IUPAC3,6-dichloro-N-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine
SMILESCc1ccc(F)cc1Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C10H7Cl2FN4/c1-5-2-3-6(13)4-7(5)14-9-8(11)16-17-10(12)15-9/h2-4H,1H3,(H,14,15,17)
InChIKeyNANJKTRABHISGQ-UHFFFAOYSA-N
MW273.10 g/mol
LogP3.37
Rot. Bonds2

About 3,6-dichloro-N-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine

3,6-dichloro-N-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine (PubChem CID 81035860) has the molecular formula C10H7Cl2FN4 and a molecular weight of 273.10 g/mol. Its IUPAC name is 3,6-dichloro-N-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine
PubChem CID81035860
Molecular FormulaC10H7Cl2FN4
Molecular Weight273.10 g/mol
Exact Mass272.00
IUPAC Name3,6-dichloro-N-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine
SMILESCc1ccc(F)cc1Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C10H7Cl2FN4/c1-5-2-3-6(13)4-7(5)14-9-8(11)16-17-10(12)15-9/h2-4H,1H3,(H,14,15,17)
InChIKeyNANJKTRABHISGQ-UHFFFAOYSA-N
XLogP3.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine (CID 81035860) is 3,6-dichloro-N-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine is Cc1ccc(F)cc1Nc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is NANJKTRABHISGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN4/c1-5-2-3-6(13)4-7(5)14-9-8(11)16-17-10(12)15-9/h2-4H,1H3,(H,14,15,17).
What are the key properties of 3,6-dichloro-N-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine has a molecular weight of 273.10 g/mol, XLogP of 3.37, 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-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81035860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).