4-methyl-N-naphthalen-1-ylphthalazin-1-amine

C19H15N3 — CID 1387760

IUPAC4-methyl-N-naphthalen-1-ylphthalazin-1-amine
SMILESCc1nnc(Nc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C19H15N3/c1-13-15-9-4-5-11-17(15)19(22-21-13)20-18-12-6-8-14-7-2-3-10-16(14)18/h2-12H,1H3,(H,20,22)
InChIKeyXEWUWKLXPHBFTM-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.84
Rot. Bonds2

About 4-methyl-N-naphthalen-1-ylphthalazin-1-amine

4-methyl-N-naphthalen-1-ylphthalazin-1-amine (PubChem CID 1387760) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-methyl-N-naphthalen-1-ylphthalazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-naphthalen-1-ylphthalazin-1-amine
PubChem CID1387760
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name4-methyl-N-naphthalen-1-ylphthalazin-1-amine
SMILESCc1nnc(Nc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C19H15N3/c1-13-15-9-4-5-11-17(15)19(22-21-13)20-18-12-6-8-14-7-2-3-10-16(14)18/h2-12H,1H3,(H,20,22)
InChIKeyXEWUWKLXPHBFTM-UHFFFAOYSA-N
XLogP4.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-naphthalen-1-ylphthalazin-1-amine?
The IUPAC name of 4-methyl-N-naphthalen-1-ylphthalazin-1-amine (CID 1387760) is 4-methyl-N-naphthalen-1-ylphthalazin-1-amine.
What is the SMILES notation for 4-methyl-N-naphthalen-1-ylphthalazin-1-amine?
The canonical SMILES for 4-methyl-N-naphthalen-1-ylphthalazin-1-amine is Cc1nnc(Nc2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 4-methyl-N-naphthalen-1-ylphthalazin-1-amine?
The InChIKey is XEWUWKLXPHBFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-13-15-9-4-5-11-17(15)19(22-21-13)20-18-12-6-8-14-7-2-3-10-16(14)18/h2-12H,1H3,(H,20,22).
What are the key properties of 4-methyl-N-naphthalen-1-ylphthalazin-1-amine?
4-methyl-N-naphthalen-1-ylphthalazin-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-naphthalen-1-ylphthalazin-1-amine is sourced from PubChem (CID 1387760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).