2,3-dihydrophthalazin-6-amine

C8H9N3 — CID 86340824

IUPAC2,3-dihydrophthalazin-6-amine
SMILESNc1ccc2c(c1)=CNNC=2
InChIInChI=1S/C8H9N3/c9-8-2-1-6-4-10-11-5-7(6)3-8/h1-5,10-11H,9H2
InChIKeyVKLOAAIURRBXTR-UHFFFAOYSA-N
MW147.18 g/mol
LogP-1.15
Rot. Bonds

About 2,3-dihydrophthalazin-6-amine

2,3-dihydrophthalazin-6-amine (PubChem CID 86340824) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2,3-dihydrophthalazin-6-amine.

Molecular Properties

Compound Name2,3-dihydrophthalazin-6-amine
PubChem CID86340824
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2,3-dihydrophthalazin-6-amine
SMILESNc1ccc2c(c1)=CNNC=2
InChIInChI=1S/C8H9N3/c9-8-2-1-6-4-10-11-5-7(6)3-8/h1-5,10-11H,9H2
InChIKeyVKLOAAIURRBXTR-UHFFFAOYSA-N
XLogP-1.15
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
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 2,3-dihydrophthalazin-6-amine?
The IUPAC name of 2,3-dihydrophthalazin-6-amine (CID 86340824) is 2,3-dihydrophthalazin-6-amine.
What is the SMILES notation for 2,3-dihydrophthalazin-6-amine?
The canonical SMILES for 2,3-dihydrophthalazin-6-amine is Nc1ccc2c(c1)=CNNC=2.
What is the InChIKey of 2,3-dihydrophthalazin-6-amine?
The InChIKey is VKLOAAIURRBXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c9-8-2-1-6-4-10-11-5-7(6)3-8/h1-5,10-11H,9H2.
What are the key properties of 2,3-dihydrophthalazin-6-amine?
2,3-dihydrophthalazin-6-amine has a molecular weight of 147.18 g/mol, XLogP of -1.15, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrophthalazin-6-amine is sourced from PubChem (CID 86340824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).