1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane

C18H18N6 — CID 22639462

IUPAC1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane
SMILESc1ccc(N2CN(c3cccnc3)CN(c3ccccn3)C2)nc1
InChIInChI=1S/C18H18N6/c1-3-10-20-17(7-1)23-13-22(16-6-5-9-19-12-16)14-24(15-23)18-8-2-4-11-21-18/h1-12H,13-15H2
InChIKeyNJCTWUWGPPKAGG-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.58
Rot. Bonds3

About 1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane

1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane (PubChem CID 22639462) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane.

Molecular Properties

Compound Name1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane
PubChem CID22639462
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane
SMILESc1ccc(N2CN(c3cccnc3)CN(c3ccccn3)C2)nc1
InChIInChI=1S/C18H18N6/c1-3-10-20-17(7-1)23-13-22(16-6-5-9-19-12-16)14-24(15-23)18-8-2-4-11-21-18/h1-12H,13-15H2
InChIKeyNJCTWUWGPPKAGG-UHFFFAOYSA-N
XLogP2.58
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
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8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane
CID 24758608
6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine
CID 2747912
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]azanium;hydroxide;hydrate
CID 159789123
ethane;1-methyl-4-pyridin-3-ylpiperazine
CID 144911309
5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide
CID 115488135
2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110753947
5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide
CID 56695362

Frequently Asked Questions

What is the IUPAC name of 1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane?
The IUPAC name of 1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane (CID 22639462) is 1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane.
What is the SMILES notation for 1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane?
The canonical SMILES for 1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane is c1ccc(N2CN(c3cccnc3)CN(c3ccccn3)C2)nc1.
What is the InChIKey of 1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane?
The InChIKey is NJCTWUWGPPKAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-3-10-20-17(7-1)23-13-22(16-6-5-9-19-12-16)14-24(15-23)18-8-2-4-11-21-18/h1-12H,13-15H2.
What are the key properties of 1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane?
1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane has a molecular weight of 318.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane is sourced from PubChem (CID 22639462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).