phthalazin-1-amine

C8H7N3 — CID 29399

IUPACphthalazin-1-amine
SMILESNc1nncc2ccccc12
InChIInChI=1S/C8H7N3/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H,(H2,9,11)
InChIKeyWTYSCLHDMXBMKM-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.21
Rot. Bonds

About phthalazin-1-amine

phthalazin-1-amine (PubChem CID 29399) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is phthalazin-1-amine.

Molecular Properties

Compound Namephthalazin-1-amine
PubChem CID29399
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Namephthalazin-1-amine
SMILESNc1nncc2ccccc12
InChIInChI=1S/C8H7N3/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H,(H2,9,11)
InChIKeyWTYSCLHDMXBMKM-UHFFFAOYSA-N
XLogP1.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 phthalazin-1-amine?
The IUPAC name of phthalazin-1-amine (CID 29399) is phthalazin-1-amine.
What is the SMILES notation for phthalazin-1-amine?
The canonical SMILES for phthalazin-1-amine is Nc1nncc2ccccc12.
What is the InChIKey of phthalazin-1-amine?
The InChIKey is WTYSCLHDMXBMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H,(H2,9,11).
What are the key properties of phthalazin-1-amine?
phthalazin-1-amine has a molecular weight of 145.16 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phthalazin-1-amine is sourced from PubChem (CID 29399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).