7-fluoro-N,1,4-trimethylphthalazin-6-amine

C11H12FN3 — CID 166548453

IUPAC7-fluoro-N,1,4-trimethylphthalazin-6-amine
SMILESCNc1cc2c(C)nnc(C)c2cc1F
InChIInChI=1S/C11H12FN3/c1-6-8-4-10(12)11(13-3)5-9(8)7(2)15-14-6/h4-5,13H,1-3H3
InChIKeyBKXQELHQRBBKDI-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.43
Rot. Bonds1

About 7-fluoro-N,1,4-trimethylphthalazin-6-amine

7-fluoro-N,1,4-trimethylphthalazin-6-amine (PubChem CID 166548453) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 7-fluoro-N,1,4-trimethylphthalazin-6-amine.

Molecular Properties

Compound Name7-fluoro-N,1,4-trimethylphthalazin-6-amine
PubChem CID166548453
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name7-fluoro-N,1,4-trimethylphthalazin-6-amine
SMILESCNc1cc2c(C)nnc(C)c2cc1F
InChIInChI=1S/C11H12FN3/c1-6-8-4-10(12)11(13-3)5-9(8)7(2)15-14-6/h4-5,13H,1-3H3
InChIKeyBKXQELHQRBBKDI-UHFFFAOYSA-N
XLogP2.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,1,4-trimethylphthalazin-6-amine?
The IUPAC name of 7-fluoro-N,1,4-trimethylphthalazin-6-amine (CID 166548453) is 7-fluoro-N,1,4-trimethylphthalazin-6-amine.
What is the SMILES notation for 7-fluoro-N,1,4-trimethylphthalazin-6-amine?
The canonical SMILES for 7-fluoro-N,1,4-trimethylphthalazin-6-amine is CNc1cc2c(C)nnc(C)c2cc1F.
What is the InChIKey of 7-fluoro-N,1,4-trimethylphthalazin-6-amine?
The InChIKey is BKXQELHQRBBKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-6-8-4-10(12)11(13-3)5-9(8)7(2)15-14-6/h4-5,13H,1-3H3.
What are the key properties of 7-fluoro-N,1,4-trimethylphthalazin-6-amine?
7-fluoro-N,1,4-trimethylphthalazin-6-amine has a molecular weight of 205.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,1,4-trimethylphthalazin-6-amine is sourced from PubChem (CID 166548453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).