N-benzyl-4-methylphthalazin-1-amine

C16H15N3 — CID 6401675

IUPACN-benzyl-4-methylphthalazin-1-amine
SMILESCc1nnc(NCc2ccccc2)c2ccccc12
InChIInChI=1S/C16H15N3/c1-12-14-9-5-6-10-15(14)16(19-18-12)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,19)
InChIKeyNBQCNIZJXWAZTM-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.55
Rot. Bonds3

About N-benzyl-4-methylphthalazin-1-amine

N-benzyl-4-methylphthalazin-1-amine (PubChem CID 6401675) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-benzyl-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-benzyl-4-methylphthalazin-1-amine
PubChem CID6401675
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC NameN-benzyl-4-methylphthalazin-1-amine
SMILESCc1nnc(NCc2ccccc2)c2ccccc12
InChIInChI=1S/C16H15N3/c1-12-14-9-5-6-10-15(14)16(19-18-12)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,19)
InChIKeyNBQCNIZJXWAZTM-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methylphthalazin-1-amine?
The IUPAC name of N-benzyl-4-methylphthalazin-1-amine (CID 6401675) is N-benzyl-4-methylphthalazin-1-amine.
What is the SMILES notation for N-benzyl-4-methylphthalazin-1-amine?
The canonical SMILES for N-benzyl-4-methylphthalazin-1-amine is Cc1nnc(NCc2ccccc2)c2ccccc12.
What is the InChIKey of N-benzyl-4-methylphthalazin-1-amine?
The InChIKey is NBQCNIZJXWAZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-14-9-5-6-10-15(14)16(19-18-12)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of N-benzyl-4-methylphthalazin-1-amine?
N-benzyl-4-methylphthalazin-1-amine has a molecular weight of 249.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methylphthalazin-1-amine is sourced from PubChem (CID 6401675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).