6-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine

C9H7F2N5 — CID 86229085

IUPAC6-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2ccc(F)c(F)c2)c(N)n1
InChIInChI=1S/C9H7F2N5/c10-5-2-1-4(3-6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChIKeyZQWTZVQVOSDXNJ-UHFFFAOYSA-N
MW223.19 g/mol
LogP0.98
Rot. Bonds1

About 6-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine

6-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 86229085) has the molecular formula C9H7F2N5 and a molecular weight of 223.19 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID86229085
Molecular FormulaC9H7F2N5
Molecular Weight223.19 g/mol
Exact Mass223.07
IUPAC Name6-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2ccc(F)c(F)c2)c(N)n1
InChIInChI=1S/C9H7F2N5/c10-5-2-1-4(3-6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChIKeyZQWTZVQVOSDXNJ-UHFFFAOYSA-N
XLogP0.98
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine (CID 86229085) is 6-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine is Nc1nnc(-c2ccc(F)c(F)c2)c(N)n1.
What is the InChIKey of 6-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is ZQWTZVQVOSDXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N5/c10-5-2-1-4(3-6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16).
What are the key properties of 6-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
6-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 223.19 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 86229085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).