N-(4-fluorophenyl)-4-methylphthalazin-1-amine

C15H12FN3 — CID 1386569

IUPACN-(4-fluorophenyl)-4-methylphthalazin-1-amine
SMILESCc1nnc(Nc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C15H12FN3/c1-10-13-4-2-3-5-14(13)15(19-18-10)17-12-8-6-11(16)7-9-12/h2-9H,1H3,(H,17,19)
InChIKeyHZRPVTOBRLNPKR-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.82
Rot. Bonds2

About N-(4-fluorophenyl)-4-methylphthalazin-1-amine

N-(4-fluorophenyl)-4-methylphthalazin-1-amine (PubChem CID 1386569) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methylphthalazin-1-amine
PubChem CID1386569
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC NameN-(4-fluorophenyl)-4-methylphthalazin-1-amine
SMILESCc1nnc(Nc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C15H12FN3/c1-10-13-4-2-3-5-14(13)15(19-18-10)17-12-8-6-11(16)7-9-12/h2-9H,1H3,(H,17,19)
InChIKeyHZRPVTOBRLNPKR-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methylphthalazin-1-amine?
The IUPAC name of N-(4-fluorophenyl)-4-methylphthalazin-1-amine (CID 1386569) is N-(4-fluorophenyl)-4-methylphthalazin-1-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4-methylphthalazin-1-amine?
The canonical SMILES for N-(4-fluorophenyl)-4-methylphthalazin-1-amine is Cc1nnc(Nc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-(4-fluorophenyl)-4-methylphthalazin-1-amine?
The InChIKey is HZRPVTOBRLNPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c1-10-13-4-2-3-5-14(13)15(19-18-10)17-12-8-6-11(16)7-9-12/h2-9H,1H3,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-4-methylphthalazin-1-amine?
N-(4-fluorophenyl)-4-methylphthalazin-1-amine has a molecular weight of 253.28 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methylphthalazin-1-amine is sourced from PubChem (CID 1386569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).