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

C16H15N3O — CID 3124064

IUPACN-(4-methoxyphenyl)-4-methylphthalazin-1-amine
SMILESCOc1ccc(Nc2nnc(C)c3ccccc23)cc1
InChIInChI=1S/C16H15N3O/c1-11-14-5-3-4-6-15(14)16(19-18-11)17-12-7-9-13(20-2)10-8-12/h3-10H,1-2H3,(H,17,19)
InChIKeyCLPZGJXKBAKLOK-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.69
Rot. Bonds3

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

N-(4-methoxyphenyl)-4-methylphthalazin-1-amine (PubChem CID 3124064) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methylphthalazin-1-amine
PubChem CID3124064
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(4-methoxyphenyl)-4-methylphthalazin-1-amine
SMILESCOc1ccc(Nc2nnc(C)c3ccccc23)cc1
InChIInChI=1S/C16H15N3O/c1-11-14-5-3-4-6-15(14)16(19-18-11)17-12-7-9-13(20-2)10-8-12/h3-10H,1-2H3,(H,17,19)
InChIKeyCLPZGJXKBAKLOK-UHFFFAOYSA-N
XLogP3.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methylphthalazin-1-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-methylphthalazin-1-amine (CID 3124064) is N-(4-methoxyphenyl)-4-methylphthalazin-1-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methylphthalazin-1-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-methylphthalazin-1-amine is COc1ccc(Nc2nnc(C)c3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methylphthalazin-1-amine?
The InChIKey is CLPZGJXKBAKLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-14-5-3-4-6-15(14)16(19-18-11)17-12-7-9-13(20-2)10-8-12/h3-10H,1-2H3,(H,17,19).
What are the key properties of N-(4-methoxyphenyl)-4-methylphthalazin-1-amine?
N-(4-methoxyphenyl)-4-methylphthalazin-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methylphthalazin-1-amine is sourced from PubChem (CID 3124064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).