4-(4-methylsulfanylphenyl)phthalazin-1-amine

C15H13N3S — CID 154206960

IUPAC4-(4-methylsulfanylphenyl)phthalazin-1-amine
SMILESCSc1ccc(-c2nnc(N)c3ccccc23)cc1
InChIInChI=1S/C15H13N3S/c1-19-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(16)18-17-14/h2-9H,1H3,(H2,16,18)
InChIKeyGUBOOKYPONHADV-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.60
Rot. Bonds2

About 4-(4-methylsulfanylphenyl)phthalazin-1-amine

4-(4-methylsulfanylphenyl)phthalazin-1-amine (PubChem CID 154206960) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-methylsulfanylphenyl)phthalazin-1-amine
PubChem CID154206960
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name4-(4-methylsulfanylphenyl)phthalazin-1-amine
SMILESCSc1ccc(-c2nnc(N)c3ccccc23)cc1
InChIInChI=1S/C15H13N3S/c1-19-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(16)18-17-14/h2-9H,1H3,(H2,16,18)
InChIKeyGUBOOKYPONHADV-UHFFFAOYSA-N
XLogP3.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylsulfanylphenyl)phthalazin-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 4-(4-methylsulfanylphenyl)phthalazin-1-amine?
The IUPAC name of 4-(4-methylsulfanylphenyl)phthalazin-1-amine (CID 154206960) is 4-(4-methylsulfanylphenyl)phthalazin-1-amine.
What is the SMILES notation for 4-(4-methylsulfanylphenyl)phthalazin-1-amine?
The canonical SMILES for 4-(4-methylsulfanylphenyl)phthalazin-1-amine is CSc1ccc(-c2nnc(N)c3ccccc23)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenyl)phthalazin-1-amine?
The InChIKey is GUBOOKYPONHADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-19-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(16)18-17-14/h2-9H,1H3,(H2,16,18).
What are the key properties of 4-(4-methylsulfanylphenyl)phthalazin-1-amine?
4-(4-methylsulfanylphenyl)phthalazin-1-amine has a molecular weight of 267.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenyl)phthalazin-1-amine is sourced from PubChem (CID 154206960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).