5-(3-fluorophenyl)-1,2,4-triazin-3-amine

C9H7FN4 — CID 43134488

IUPAC5-(3-fluorophenyl)-1,2,4-triazin-3-amine
SMILESNc1nncc(-c2cccc(F)c2)n1
InChIInChI=1S/C9H7FN4/c10-7-3-1-2-6(4-7)8-5-12-14-9(11)13-8/h1-5H,(H2,11,13,14)
InChIKeyANSYPNXGEXWJPP-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.26
Rot. Bonds1

About 5-(3-fluorophenyl)-1,2,4-triazin-3-amine

5-(3-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 43134488) has the molecular formula C9H7FN4 and a molecular weight of 190.18 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID43134488
Molecular FormulaC9H7FN4
Molecular Weight190.18 g/mol
Exact Mass190.07
IUPAC Name5-(3-fluorophenyl)-1,2,4-triazin-3-amine
SMILESNc1nncc(-c2cccc(F)c2)n1
InChIInChI=1S/C9H7FN4/c10-7-3-1-2-6(4-7)8-5-12-14-9(11)13-8/h1-5H,(H2,11,13,14)
InChIKeyANSYPNXGEXWJPP-UHFFFAOYSA-N
XLogP1.26
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3-fluorophenyl)-1,2,4-triazin-3-amine (CID 43134488) is 5-(3-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3-fluorophenyl)-1,2,4-triazin-3-amine is Nc1nncc(-c2cccc(F)c2)n1.
What is the InChIKey of 5-(3-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is ANSYPNXGEXWJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4/c10-7-3-1-2-6(4-7)8-5-12-14-9(11)13-8/h1-5H,(H2,11,13,14).
What are the key properties of 5-(3-fluorophenyl)-1,2,4-triazin-3-amine?
5-(3-fluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 190.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 43134488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).