2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine

C12H14N4O — CID 164634826

IUPAC2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine
SMILESc1ccc(-c2cnn([C@@H]3CCCCO3)n2)nc1
InChIInChI=1S/C12H14N4O/c1-3-7-13-10(5-1)11-9-14-16(15-11)12-6-2-4-8-17-12/h1,3,5,7,9,12H,2,4,6,8H2/t12-/m0/s1
InChIKeyYVDHQCXFUYUOMQ-LBPRGKRZSA-N
MW230.27 g/mol
LogP2.04
Rot. Bonds2

About 2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine

2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine (PubChem CID 164634826) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine
PubChem CID164634826
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine
SMILESc1ccc(-c2cnn([C@@H]3CCCCO3)n2)nc1
InChIInChI=1S/C12H14N4O/c1-3-7-13-10(5-1)11-9-14-16(15-11)12-6-2-4-8-17-12/h1,3,5,7,9,12H,2,4,6,8H2/t12-/m0/s1
InChIKeyYVDHQCXFUYUOMQ-LBPRGKRZSA-N
XLogP2.04
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine?
The IUPAC name of 2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine (CID 164634826) is 2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine.
What is the SMILES notation for 2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine?
The canonical SMILES for 2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine is c1ccc(-c2cnn([C@@H]3CCCCO3)n2)nc1.
What is the InChIKey of 2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine?
The InChIKey is YVDHQCXFUYUOMQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14N4O/c1-3-7-13-10(5-1)11-9-14-16(15-11)12-6-2-4-8-17-12/h1,3,5,7,9,12H,2,4,6,8H2/t12-/m0/s1.
What are the key properties of 2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine?
2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine has a molecular weight of 230.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine is sourced from PubChem (CID 164634826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).