2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile

C22H12N10 — CID 11080220

IUPAC2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile
SMILESN#Cc1cc(-c2nncc(-c3ccccn3)n2)nc(-c2nncc(-c3ccccn3)n2)c1
InChIInChI=1S/C22H12N10/c23-11-14-9-17(21-29-19(12-26-31-21)15-5-1-3-7-24-15)28-18(10-14)22-30-20(13-27-32-22)16-6-2-4-8-25-16/h1-10,12-13H
InChIKeyLNMSJELRVXVQFD-UHFFFAOYSA-N
MW416.41 g/mol
LogP2.78
Rot. Bonds4

About 2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile

2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile (PubChem CID 11080220) has the molecular formula C22H12N10 and a molecular weight of 416.41 g/mol. Its IUPAC name is 2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile
PubChem CID11080220
Molecular FormulaC22H12N10
Molecular Weight416.41 g/mol
Exact Mass416.12
IUPAC Name2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile
SMILESN#Cc1cc(-c2nncc(-c3ccccn3)n2)nc(-c2nncc(-c3ccccn3)n2)c1
InChIInChI=1S/C22H12N10/c23-11-14-9-17(21-29-19(12-26-31-21)15-5-1-3-7-24-15)28-18(10-14)22-30-20(13-27-32-22)16-6-2-4-8-25-16/h1-10,12-13H
InChIKeyLNMSJELRVXVQFD-UHFFFAOYSA-N
XLogP2.78
TPSA139.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine
CID 15424694
5-pyridin-2-yl-1,2,4-triazin-3-amine
CID 43134555
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146654074
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
4-ethynyl-2,6-dipyridin-2-ylpyridine
CID 10611160
3,5-dipyridin-2-ylpyridazine
CID 19065735
3-phenyl-5-(3-pyridin-2-ylphenyl)benzonitrile
CID 90393137
cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate
CID 139074463
4-[2-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]benzonitrile;2-[4-[4-[6-[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165082365
3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile
CID 71140568
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile?
The IUPAC name of 2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile (CID 11080220) is 2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile is N#Cc1cc(-c2nncc(-c3ccccn3)n2)nc(-c2nncc(-c3ccccn3)n2)c1.
What is the InChIKey of 2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile?
The InChIKey is LNMSJELRVXVQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N10/c23-11-14-9-17(21-29-19(12-26-31-21)15-5-1-3-7-24-15)28-18(10-14)22-30-20(13-27-32-22)16-6-2-4-8-25-16/h1-10,12-13H.
What are the key properties of 2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile?
2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile has a molecular weight of 416.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 11080220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).