4-[3-(2-adamantyl)triazol-4-yl]pyridine

C17H20N4 — CID 57402393

IUPAC4-[3-(2-adamantyl)triazol-4-yl]pyridine
SMILESc1cc(-c2cnnn2C2C3CC4CC(C3)CC2C4)ccn1
InChIInChI=1S/C17H20N4/c1-3-18-4-2-13(1)16-10-19-20-21(16)17-14-6-11-5-12(8-14)9-15(17)7-11/h1-4,10-12,14-15,17H,5-9H2
InChIKeyZOSJZFIPLQERBX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.34
Rot. Bonds2

About 4-[3-(2-adamantyl)triazol-4-yl]pyridine

4-[3-(2-adamantyl)triazol-4-yl]pyridine (PubChem CID 57402393) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[3-(2-adamantyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(2-adamantyl)triazol-4-yl]pyridine
PubChem CID57402393
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name4-[3-(2-adamantyl)triazol-4-yl]pyridine
SMILESc1cc(-c2cnnn2C2C3CC4CC(C3)CC2C4)ccn1
InChIInChI=1S/C17H20N4/c1-3-18-4-2-13(1)16-10-19-20-21(16)17-14-6-11-5-12(8-14)9-15(17)7-11/h1-4,10-12,14-15,17H,5-9H2
InChIKeyZOSJZFIPLQERBX-UHFFFAOYSA-N
XLogP3.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-adamantyl)triazol-4-yl]pyridine?
The IUPAC name of 4-[3-(2-adamantyl)triazol-4-yl]pyridine (CID 57402393) is 4-[3-(2-adamantyl)triazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(2-adamantyl)triazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(2-adamantyl)triazol-4-yl]pyridine is c1cc(-c2cnnn2C2C3CC4CC(C3)CC2C4)ccn1.
What is the InChIKey of 4-[3-(2-adamantyl)triazol-4-yl]pyridine?
The InChIKey is ZOSJZFIPLQERBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-18-4-2-13(1)16-10-19-20-21(16)17-14-6-11-5-12(8-14)9-15(17)7-11/h1-4,10-12,14-15,17H,5-9H2.
What are the key properties of 4-[3-(2-adamantyl)triazol-4-yl]pyridine?
4-[3-(2-adamantyl)triazol-4-yl]pyridine has a molecular weight of 280.37 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-adamantyl)triazol-4-yl]pyridine is sourced from PubChem (CID 57402393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).