N-(3,5-dichlorophenyl)-5-fluoro-1H-1,2,4-triazol-3-amine

C8H5Cl2FN4 — CID 86298049

IUPACN-(3,5-dichlorophenyl)-5-fluoro-1H-1,2,4-triazol-3-amine
SMILESFc1nc(Nc2cc(Cl)cc(Cl)c2)n[nH]1
InChIInChI=1S/C8H5Cl2FN4/c9-4-1-5(10)3-6(2-4)12-8-13-7(11)14-15-8/h1-3H,(H2,12,13,14,15)
InChIKeyGECQZZZYRNXYJM-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.99
Rot. Bonds2

About N-(3,5-dichlorophenyl)-5-fluoro-1H-1,2,4-triazol-3-amine

N-(3,5-dichlorophenyl)-5-fluoro-1H-1,2,4-triazol-3-amine (PubChem CID 86298049) has the molecular formula C8H5Cl2FN4 and a molecular weight of 247.06 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-5-fluoro-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-5-fluoro-1H-1,2,4-triazol-3-amine
PubChem CID86298049
Molecular FormulaC8H5Cl2FN4
Molecular Weight247.06 g/mol
Exact Mass245.99
IUPAC NameN-(3,5-dichlorophenyl)-5-fluoro-1H-1,2,4-triazol-3-amine
SMILESFc1nc(Nc2cc(Cl)cc(Cl)c2)n[nH]1
InChIInChI=1S/C8H5Cl2FN4/c9-4-1-5(10)3-6(2-4)12-8-13-7(11)14-15-8/h1-3H,(H2,12,13,14,15)
InChIKeyGECQZZZYRNXYJM-UHFFFAOYSA-N
XLogP2.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-5-fluoro-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-5-fluoro-1H-1,2,4-triazol-3-amine (CID 86298049) is N-(3,5-dichlorophenyl)-5-fluoro-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-5-fluoro-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-5-fluoro-1H-1,2,4-triazol-3-amine is Fc1nc(Nc2cc(Cl)cc(Cl)c2)n[nH]1.
What is the InChIKey of N-(3,5-dichlorophenyl)-5-fluoro-1H-1,2,4-triazol-3-amine?
The InChIKey is GECQZZZYRNXYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FN4/c9-4-1-5(10)3-6(2-4)12-8-13-7(11)14-15-8/h1-3H,(H2,12,13,14,15).
What are the key properties of N-(3,5-dichlorophenyl)-5-fluoro-1H-1,2,4-triazol-3-amine?
N-(3,5-dichlorophenyl)-5-fluoro-1H-1,2,4-triazol-3-amine has a molecular weight of 247.06 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-5-fluoro-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 86298049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).