1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine

C18H16N4 — CID 15911741

IUPAC1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine
SMILESc1ccc(-c2nnc(-c3ccccn3)c3c2CCCC3)nc1
InChIInChI=1S/C18H16N4/c1-2-8-14-13(7-1)17(15-9-3-5-11-19-15)21-22-18(14)16-10-4-6-12-20-16/h3-6,9-12H,1-2,7-8H2
InChIKeyXYHNUCGXQWEBHX-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.48
Rot. Bonds2

About 1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine

1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine (PubChem CID 15911741) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine.

Molecular Properties

Compound Name1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine
PubChem CID15911741
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine
SMILESc1ccc(-c2nnc(-c3ccccn3)c3c2CCCC3)nc1
InChIInChI=1S/C18H16N4/c1-2-8-14-13(7-1)17(15-9-3-5-11-19-15)21-22-18(14)16-10-4-6-12-20-16/h3-6,9-12H,1-2,7-8H2
InChIKeyXYHNUCGXQWEBHX-UHFFFAOYSA-N
XLogP3.48
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene
CID 101424910
(1S,8R)-3,6-dipyridin-2-yl-4,5-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 102119858
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
2-(2H-azirin-3-yl)pyridine
CID 123655147
(1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine
CID 11067258
3,4,5-trimethyl-6-pyridin-2-ylpyridazine
CID 152648665

Frequently Asked Questions

What is the IUPAC name of 1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine?
The IUPAC name of 1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine (CID 15911741) is 1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine.
What is the SMILES notation for 1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine?
The canonical SMILES for 1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine is c1ccc(-c2nnc(-c3ccccn3)c3c2CCCC3)nc1.
What is the InChIKey of 1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine?
The InChIKey is XYHNUCGXQWEBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-2-8-14-13(7-1)17(15-9-3-5-11-19-15)21-22-18(14)16-10-4-6-12-20-16/h3-6,9-12H,1-2,7-8H2.
What are the key properties of 1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine?
1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine has a molecular weight of 288.35 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine is sourced from PubChem (CID 15911741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).