2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine

C11H12N4O — CID 167978510

IUPAC2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine
SMILESc1ccc(-c2cn([C@H]3CCOC3)nn2)nc1
InChIInChI=1S/C11H12N4O/c1-2-5-12-10(3-1)11-7-15(14-13-11)9-4-6-16-8-9/h1-3,5,7,9H,4,6,8H2/t9-/m0/s1
InChIKeyGTBDNCTZBKYJGO-VIFPVBQESA-N
MW216.24 g/mol
LogP1.30
Rot. Bonds2

About 2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine

2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine (PubChem CID 167978510) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine
PubChem CID167978510
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine
SMILESc1ccc(-c2cn([C@H]3CCOC3)nn2)nc1
InChIInChI=1S/C11H12N4O/c1-2-5-12-10(3-1)11-7-15(14-13-11)9-4-6-16-8-9/h1-3,5,7,9H,4,6,8H2/t9-/m0/s1
InChIKeyGTBDNCTZBKYJGO-VIFPVBQESA-N
XLogP1.30
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine?
The IUPAC name of 2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine (CID 167978510) is 2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine.
What is the SMILES notation for 2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine?
The canonical SMILES for 2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine is c1ccc(-c2cn([C@H]3CCOC3)nn2)nc1.
What is the InChIKey of 2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine?
The InChIKey is GTBDNCTZBKYJGO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-5-12-10(3-1)11-7-15(14-13-11)9-4-6-16-8-9/h1-3,5,7,9H,4,6,8H2/t9-/m0/s1.
What are the key properties of 2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine?
2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine has a molecular weight of 216.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine is sourced from PubChem (CID 167978510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).