N-methyl-4-(4-methylphenyl)phthalazin-1-amine

C16H15N3 — CID 6409108

IUPACN-methyl-4-(4-methylphenyl)phthalazin-1-amine
SMILESCNc1nnc(-c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C16H15N3/c1-11-7-9-12(10-8-11)15-13-5-3-4-6-14(13)16(17-2)19-18-15/h3-10H,1-2H3,(H,17,19)
InChIKeyQPJHCRVPTHCLML-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.65
Rot. Bonds2

About N-methyl-4-(4-methylphenyl)phthalazin-1-amine

N-methyl-4-(4-methylphenyl)phthalazin-1-amine (PubChem CID 6409108) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-methyl-4-(4-methylphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-methyl-4-(4-methylphenyl)phthalazin-1-amine
PubChem CID6409108
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC NameN-methyl-4-(4-methylphenyl)phthalazin-1-amine
SMILESCNc1nnc(-c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C16H15N3/c1-11-7-9-12(10-8-11)15-13-5-3-4-6-14(13)16(17-2)19-18-15/h3-10H,1-2H3,(H,17,19)
InChIKeyQPJHCRVPTHCLML-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylphenyl)phthalazin-1-amine?
The IUPAC name of N-methyl-4-(4-methylphenyl)phthalazin-1-amine (CID 6409108) is N-methyl-4-(4-methylphenyl)phthalazin-1-amine.
What is the SMILES notation for N-methyl-4-(4-methylphenyl)phthalazin-1-amine?
The canonical SMILES for N-methyl-4-(4-methylphenyl)phthalazin-1-amine is CNc1nnc(-c2ccc(C)cc2)c2ccccc12.
What is the InChIKey of N-methyl-4-(4-methylphenyl)phthalazin-1-amine?
The InChIKey is QPJHCRVPTHCLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-7-9-12(10-8-11)15-13-5-3-4-6-14(13)16(17-2)19-18-15/h3-10H,1-2H3,(H,17,19).
What are the key properties of N-methyl-4-(4-methylphenyl)phthalazin-1-amine?
N-methyl-4-(4-methylphenyl)phthalazin-1-amine has a molecular weight of 249.32 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylphenyl)phthalazin-1-amine is sourced from PubChem (CID 6409108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).