4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine

C16H12F3N3 — CID 1391463

IUPAC4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine
SMILESCc1nnc(Nc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C16H12F3N3/c1-10-13-7-2-3-8-14(13)15(22-21-10)20-12-6-4-5-11(9-12)16(17,18)19/h2-9H,1H3,(H,20,22)
InChIKeyWZJYALVYNSCNJK-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.70
Rot. Bonds2

About 4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine

4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine (PubChem CID 1391463) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine
PubChem CID1391463
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine
SMILESCc1nnc(Nc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C16H12F3N3/c1-10-13-7-2-3-8-14(13)15(22-21-10)20-12-6-4-5-11(9-12)16(17,18)19/h2-9H,1H3,(H,20,22)
InChIKeyWZJYALVYNSCNJK-UHFFFAOYSA-N
XLogP4.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine?
The IUPAC name of 4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine (CID 1391463) is 4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine.
What is the SMILES notation for 4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine?
The canonical SMILES for 4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine is Cc1nnc(Nc2cccc(C(F)(F)F)c2)c2ccccc12.
What is the InChIKey of 4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine?
The InChIKey is WZJYALVYNSCNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c1-10-13-7-2-3-8-14(13)15(22-21-10)20-12-6-4-5-11(9-12)16(17,18)19/h2-9H,1H3,(H,20,22).
What are the key properties of 4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine?
4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine has a molecular weight of 303.29 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine is sourced from PubChem (CID 1391463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).