N-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine

C17H17N3 — CID 2869379

IUPACN-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine
SMILESCc1ccc(Nc2nnc(C)c3ccccc23)c(C)c1
InChIInChI=1S/C17H17N3/c1-11-8-9-16(12(2)10-11)18-17-15-7-5-4-6-14(15)13(3)19-20-17/h4-10H,1-3H3,(H,18,20)
InChIKeyAGYJBHMUOPBGOL-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.30
Rot. Bonds2

About N-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine

N-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine (PubChem CID 2869379) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine
PubChem CID2869379
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine
SMILESCc1ccc(Nc2nnc(C)c3ccccc23)c(C)c1
InChIInChI=1S/C17H17N3/c1-11-8-9-16(12(2)10-11)18-17-15-7-5-4-6-14(15)13(3)19-20-17/h4-10H,1-3H3,(H,18,20)
InChIKeyAGYJBHMUOPBGOL-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine (CID 2869379) is N-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine is Cc1ccc(Nc2nnc(C)c3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine?
The InChIKey is AGYJBHMUOPBGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-8-9-16(12(2)10-11)18-17-15-7-5-4-6-14(15)13(3)19-20-17/h4-10H,1-3H3,(H,18,20).
What are the key properties of N-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine?
N-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine has a molecular weight of 263.34 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine is sourced from PubChem (CID 2869379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).