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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Related Compounds

2-(1h-[1,2,3]Triazol-4-yl)pyridine
CID 9812807
2-[1-[[(2R,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]methyl]triazol-4-yl]pyridine
CID 23731407
2-(3-Phenyltriazol-4-yl)pyridine
CID 13949169
(3S,3aR,6S,6aR)-6-(4-pyridin-2-yltriazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 11867584
2-(1-|A-D-Ribofuranosyl-1H-1,2,3-triazol-4-yl)pyridine
CID 42604705
2-(Pyrazol-1-ylmethyl)-4-(2-pyridin-2-ylethyl)morpholine
CID 53568852
4-[(5-Pyridin-3-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methyl]morpholine
CID 97519701
2-[1-(Trifluoromethyl)triazol-4-yl]pyridine
CID 67428287
2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine
CID 25138594
(3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol
CID 168069183
2-[1-(1,1,2,2,3,3,3-Heptafluoropropyl)triazol-4-yl]pyridine
CID 91215779
(3S,3aR,6R,6aR)-3-(4-pyridin-2-yltriazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 11867571

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).