1-N,4-N-dipyridin-2-ylphthalazine-1,4-diamine

C18H14N6 — CID 5185753

IUPAC1-N,4-N-dipyridin-2-ylphthalazine-1,4-diamine
SMILESc1ccc(Nc2nnc(Nc3ccccn3)c3ccccc23)nc1
InChIInChI=1S/C18H14N6/c1-2-8-14-13(7-1)17(21-15-9-3-5-11-19-15)23-24-18(14)22-16-10-4-6-12-20-16/h1-12H,(H,19,21,23)(H,20,22,24)
InChIKeyFOVBHLVKSWOART-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.91
Rot. Bonds4

About 1-N,4-N-dipyridin-2-ylphthalazine-1,4-diamine

1-N,4-N-dipyridin-2-ylphthalazine-1,4-diamine (PubChem CID 5185753) has the molecular formula C18H14N6 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-N,4-N-dipyridin-2-ylphthalazine-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dipyridin-2-ylphthalazine-1,4-diamine
PubChem CID5185753
Molecular FormulaC18H14N6
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC Name1-N,4-N-dipyridin-2-ylphthalazine-1,4-diamine
SMILESc1ccc(Nc2nnc(Nc3ccccn3)c3ccccc23)nc1
InChIInChI=1S/C18H14N6/c1-2-8-14-13(7-1)17(21-15-9-3-5-11-19-15)23-24-18(14)22-16-10-4-6-12-20-16/h1-12H,(H,19,21,23)(H,20,22,24)
InChIKeyFOVBHLVKSWOART-UHFFFAOYSA-N
XLogP3.91
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dipyridin-2-ylphthalazine-1,4-diamine?
The IUPAC name of 1-N,4-N-dipyridin-2-ylphthalazine-1,4-diamine (CID 5185753) is 1-N,4-N-dipyridin-2-ylphthalazine-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dipyridin-2-ylphthalazine-1,4-diamine?
The canonical SMILES for 1-N,4-N-dipyridin-2-ylphthalazine-1,4-diamine is c1ccc(Nc2nnc(Nc3ccccn3)c3ccccc23)nc1.
What is the InChIKey of 1-N,4-N-dipyridin-2-ylphthalazine-1,4-diamine?
The InChIKey is FOVBHLVKSWOART-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6/c1-2-8-14-13(7-1)17(21-15-9-3-5-11-19-15)23-24-18(14)22-16-10-4-6-12-20-16/h1-12H,(H,19,21,23)(H,20,22,24).
What are the key properties of 1-N,4-N-dipyridin-2-ylphthalazine-1,4-diamine?
1-N,4-N-dipyridin-2-ylphthalazine-1,4-diamine has a molecular weight of 314.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dipyridin-2-ylphthalazine-1,4-diamine is sourced from PubChem (CID 5185753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).