phthalazin-5-amine

C8H7N3 — CID 11228869

IUPACphthalazin-5-amine
SMILESNc1cccc2cnncc12
InChIInChI=1S/C8H7N3/c9-8-3-1-2-6-4-10-11-5-7(6)8/h1-5H,9H2
InChIKeyIXASUUHIFCTEJK-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.21
Rot. Bonds

About phthalazin-5-amine

phthalazin-5-amine (PubChem CID 11228869) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is phthalazin-5-amine.

Molecular Properties

Compound Namephthalazin-5-amine
PubChem CID11228869
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Namephthalazin-5-amine
SMILESNc1cccc2cnncc12
InChIInChI=1S/C8H7N3/c9-8-3-1-2-6-4-10-11-5-7(6)8/h1-5H,9H2
InChIKeyIXASUUHIFCTEJK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phthalazin-5-amine?
The IUPAC name of phthalazin-5-amine (CID 11228869) is phthalazin-5-amine.
What is the SMILES notation for phthalazin-5-amine?
The canonical SMILES for phthalazin-5-amine is Nc1cccc2cnncc12.
What is the InChIKey of phthalazin-5-amine?
The InChIKey is IXASUUHIFCTEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c9-8-3-1-2-6-4-10-11-5-7(6)8/h1-5H,9H2.
What are the key properties of phthalazin-5-amine?
phthalazin-5-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-5-amine is sourced from PubChem (CID 11228869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).