1H-phthalazin-2-amine

C8H9N3 — CID 54178795

IUPAC1H-phthalazin-2-amine
SMILESNN1Cc2ccccc2C=N1
InChIInChI=1S/C8H9N3/c9-11-6-8-4-2-1-3-7(8)5-10-11/h1-5H,6,9H2
InChIKeyIPXQYWXDHMSUOX-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.71
Rot. Bonds

About 1H-phthalazin-2-amine

1H-phthalazin-2-amine (PubChem CID 54178795) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 1H-phthalazin-2-amine.

Molecular Properties

Compound Name1H-phthalazin-2-amine
PubChem CID54178795
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name1H-phthalazin-2-amine
SMILESNN1Cc2ccccc2C=N1
InChIInChI=1S/C8H9N3/c9-11-6-8-4-2-1-3-7(8)5-10-11/h1-5H,6,9H2
InChIKeyIPXQYWXDHMSUOX-UHFFFAOYSA-N
XLogP0.71
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-phthalazin-2-amine?
The IUPAC name of 1H-phthalazin-2-amine (CID 54178795) is 1H-phthalazin-2-amine.
What is the SMILES notation for 1H-phthalazin-2-amine?
The canonical SMILES for 1H-phthalazin-2-amine is NN1Cc2ccccc2C=N1.
What is the InChIKey of 1H-phthalazin-2-amine?
The InChIKey is IPXQYWXDHMSUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c9-11-6-8-4-2-1-3-7(8)5-10-11/h1-5H,6,9H2.
What are the key properties of 1H-phthalazin-2-amine?
1H-phthalazin-2-amine has a molecular weight of 147.18 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-phthalazin-2-amine is sourced from PubChem (CID 54178795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).