2-phenylimidazo[2,1-a]phthalazin-6-amine

C16H12N4 — CID 3765310

IUPAC2-phenylimidazo[2,1-a]phthalazin-6-amine
SMILESNc1nn2cc(-c3ccccc3)nc2c2ccccc12
InChIInChI=1S/C16H12N4/c17-15-12-8-4-5-9-13(12)16-18-14(10-20(16)19-15)11-6-2-1-3-7-11/h1-10H,(H2,17,19)
InChIKeyFPZLJNFFUADCKW-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.13
Rot. Bonds1

About 2-phenylimidazo[2,1-a]phthalazin-6-amine

2-phenylimidazo[2,1-a]phthalazin-6-amine (PubChem CID 3765310) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-phenylimidazo[2,1-a]phthalazin-6-amine.

Molecular Properties

Compound Name2-phenylimidazo[2,1-a]phthalazin-6-amine
PubChem CID3765310
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name2-phenylimidazo[2,1-a]phthalazin-6-amine
SMILESNc1nn2cc(-c3ccccc3)nc2c2ccccc12
InChIInChI=1S/C16H12N4/c17-15-12-8-4-5-9-13(12)16-18-14(10-20(16)19-15)11-6-2-1-3-7-11/h1-10H,(H2,17,19)
InChIKeyFPZLJNFFUADCKW-UHFFFAOYSA-N
XLogP3.13
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenylimidazo[2,1-a]phthalazin-6-amine?
The IUPAC name of 2-phenylimidazo[2,1-a]phthalazin-6-amine (CID 3765310) is 2-phenylimidazo[2,1-a]phthalazin-6-amine.
What is the SMILES notation for 2-phenylimidazo[2,1-a]phthalazin-6-amine?
The canonical SMILES for 2-phenylimidazo[2,1-a]phthalazin-6-amine is Nc1nn2cc(-c3ccccc3)nc2c2ccccc12.
What is the InChIKey of 2-phenylimidazo[2,1-a]phthalazin-6-amine?
The InChIKey is FPZLJNFFUADCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-15-12-8-4-5-9-13(12)16-18-14(10-20(16)19-15)11-6-2-1-3-7-11/h1-10H,(H2,17,19).
What are the key properties of 2-phenylimidazo[2,1-a]phthalazin-6-amine?
2-phenylimidazo[2,1-a]phthalazin-6-amine has a molecular weight of 260.30 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylimidazo[2,1-a]phthalazin-6-amine is sourced from PubChem (CID 3765310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).