carbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine

C13H9N5O3 — CID 176533652

IUPACcarbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine
SMILESO=C=O.c1cncc(-c2cncc(Oc3cn[nH]n3)c2)c1
InChIInChI=1S/C12H9N5O.CO2/c1-2-9(5-13-3-1)10-4-11(7-14-6-10)18-12-8-15-17-16-12;2-1-3/h1-8H,(H,15,16,17);
InChIKeyBCTMZQWJSJDYCK-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.47
Rot. Bonds3

About carbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine

carbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine (PubChem CID 176533652) has the molecular formula C13H9N5O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is carbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine.

Molecular Properties

Compound Namecarbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine
PubChem CID176533652
Molecular FormulaC13H9N5O3
Molecular Weight283.25 g/mol
Exact Mass283.07
IUPAC Namecarbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine
SMILESO=C=O.c1cncc(-c2cncc(Oc3cn[nH]n3)c2)c1
InChIInChI=1S/C12H9N5O.CO2/c1-2-9(5-13-3-1)10-4-11(7-14-6-10)18-12-8-15-17-16-12;2-1-3/h1-8H,(H,15,16,17);
InChIKeyBCTMZQWJSJDYCK-UHFFFAOYSA-N
XLogP1.47
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

carbon dioxide;4-(3-phenylphenoxy)-2H-triazole
CID 176545249
carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole
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4-[3-(4-chlorophenyl)phenoxy]-2H-triazole
CID 155653430
carbon dioxide;1-[3-(2H-triazol-4-yloxy)phenyl]azepane
CID 176546409
3-(difluoromethoxy)-5-pyridin-3-ylpyridine
CID 46316889
carbon dioxide;4-(3-chloro-4-fluorophenoxy)-2H-triazole
CID 176532110
cyclopenta[c]azepine
CID 638010
3-methyl-5-(5-pyridin-3-yl-3-pyridinyl)pyridine
CID 170233955
3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116854
2-(3-pyridin-3-yloxyphenyl)pyridine
CID 123250920
3-[4-(4-fluorophenoxy)phenyl]pyridine
CID 91298278
1-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine?
The IUPAC name of carbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine (CID 176533652) is carbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine.
What is the SMILES notation for carbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine?
The canonical SMILES for carbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine is O=C=O.c1cncc(-c2cncc(Oc3cn[nH]n3)c2)c1.
What is the InChIKey of carbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine?
The InChIKey is BCTMZQWJSJDYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O.CO2/c1-2-9(5-13-3-1)10-4-11(7-14-6-10)18-12-8-15-17-16-12;2-1-3/h1-8H,(H,15,16,17);.
What are the key properties of carbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine?
carbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine has a molecular weight of 283.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine is sourced from PubChem (CID 176533652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).