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

C13H16N4O — CID 164641266

IUPAC4-methyl-2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine
SMILESCc1ccnc(-c2cnn([C@@H]3CCCCO3)n2)c1
InChIInChI=1S/C13H16N4O/c1-10-5-6-14-11(8-10)12-9-15-17(16-12)13-4-2-3-7-18-13/h5-6,8-9,13H,2-4,7H2,1H3/t13-/m0/s1
InChIKeyCBRHSHBOQISVCO-ZDUSSCGKSA-N
MW244.30 g/mol
LogP2.35
Rot. Bonds2

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

4-methyl-2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine (PubChem CID 164641266) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-methyl-2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name4-methyl-2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine
PubChem CID164641266
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-methyl-2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine
SMILESCc1ccnc(-c2cnn([C@@H]3CCCCO3)n2)c1
InChIInChI=1S/C13H16N4O/c1-10-5-6-14-11(8-10)12-9-15-17(16-12)13-4-2-3-7-18-13/h5-6,8-9,13H,2-4,7H2,1H3/t13-/m0/s1
InChIKeyCBRHSHBOQISVCO-ZDUSSCGKSA-N
XLogP2.35
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine?
The IUPAC name of 4-methyl-2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine (CID 164641266) is 4-methyl-2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine.
What is the SMILES notation for 4-methyl-2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine?
The canonical SMILES for 4-methyl-2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine is Cc1ccnc(-c2cnn([C@@H]3CCCCO3)n2)c1.
What is the InChIKey of 4-methyl-2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine?
The InChIKey is CBRHSHBOQISVCO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-5-6-14-11(8-10)12-9-15-17(16-12)13-4-2-3-7-18-13/h5-6,8-9,13H,2-4,7H2,1H3/t13-/m0/s1.
What are the key properties of 4-methyl-2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine?
4-methyl-2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine has a molecular weight of 244.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[(2S)-oxan-2-yl]triazol-4-yl]pyridine is sourced from PubChem (CID 164641266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).