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

C9H6F2N4 — CID 43134548

IUPAC5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine
SMILESNc1nncc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C9H6F2N4/c10-6-2-1-5(3-7(6)11)8-4-13-15-9(12)14-8/h1-4H,(H2,12,14,15)
InChIKeyWKBBLBRBXBJLDY-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.40
Rot. Bonds1

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

5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 43134548) has the molecular formula C9H6F2N4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine
PubChem CID43134548
Molecular FormulaC9H6F2N4
Molecular Weight208.17 g/mol
Exact Mass208.06
IUPAC Name5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine
SMILESNc1nncc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C9H6F2N4/c10-6-2-1-5(3-7(6)11)8-4-13-15-9(12)14-8/h1-4H,(H2,12,14,15)
InChIKeyWKBBLBRBXBJLDY-UHFFFAOYSA-N
XLogP1.40
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine (CID 43134548) is 5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine is Nc1nncc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is WKBBLBRBXBJLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N4/c10-6-2-1-5(3-7(6)11)8-4-13-15-9(12)14-8/h1-4H,(H2,12,14,15).
What are the key properties of 5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine?
5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 208.17 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 43134548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).