2,6-bis[1-[(2R)-oxan-2-yl]triazol-4-yl]pyridine

C19H23N7O2 — CID 134841515

IUPAC2,6-bis[1-[(2R)-oxan-2-yl]triazol-4-yl]pyridine
SMILESc1cc(-c2cn([C@H]3CCCCO3)nn2)nc(-c2cn([C@H]3CCCCO3)nn2)c1
InChIInChI=1S/C19H23N7O2/c1-3-10-27-18(8-1)25-12-16(21-23-25)14-6-5-7-15(20-14)17-13-26(24-22-17)19-9-2-4-11-28-19/h5-7,12-13,18-19H,1-4,8-11H2/t18-,19-/m1/s1
InChIKeyIHGMABVOHBFPGW-RTBURBONSA-N
MW381.44 g/mol
LogP3.00
Rot. Bonds4

About 2,6-bis[1-[(2R)-oxan-2-yl]triazol-4-yl]pyridine

2,6-bis[1-[(2R)-oxan-2-yl]triazol-4-yl]pyridine (PubChem CID 134841515) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2,6-bis[1-[(2R)-oxan-2-yl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name2,6-bis[1-[(2R)-oxan-2-yl]triazol-4-yl]pyridine
PubChem CID134841515
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name2,6-bis[1-[(2R)-oxan-2-yl]triazol-4-yl]pyridine
SMILESc1cc(-c2cn([C@H]3CCCCO3)nn2)nc(-c2cn([C@H]3CCCCO3)nn2)c1
InChIInChI=1S/C19H23N7O2/c1-3-10-27-18(8-1)25-12-16(21-23-25)14-6-5-7-15(20-14)17-13-26(24-22-17)19-9-2-4-11-28-19/h5-7,12-13,18-19H,1-4,8-11H2/t18-,19-/m1/s1
InChIKeyIHGMABVOHBFPGW-RTBURBONSA-N
XLogP3.00
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[1-[(2R)-oxan-2-yl]triazol-4-yl]pyridine?
The IUPAC name of 2,6-bis[1-[(2R)-oxan-2-yl]triazol-4-yl]pyridine (CID 134841515) is 2,6-bis[1-[(2R)-oxan-2-yl]triazol-4-yl]pyridine.
What is the SMILES notation for 2,6-bis[1-[(2R)-oxan-2-yl]triazol-4-yl]pyridine?
The canonical SMILES for 2,6-bis[1-[(2R)-oxan-2-yl]triazol-4-yl]pyridine is c1cc(-c2cn([C@H]3CCCCO3)nn2)nc(-c2cn([C@H]3CCCCO3)nn2)c1.
What is the InChIKey of 2,6-bis[1-[(2R)-oxan-2-yl]triazol-4-yl]pyridine?
The InChIKey is IHGMABVOHBFPGW-RTBURBONSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-3-10-27-18(8-1)25-12-16(21-23-25)14-6-5-7-15(20-14)17-13-26(24-22-17)19-9-2-4-11-28-19/h5-7,12-13,18-19H,1-4,8-11H2/t18-,19-/m1/s1.
What are the key properties of 2,6-bis[1-[(2R)-oxan-2-yl]triazol-4-yl]pyridine?
2,6-bis[1-[(2R)-oxan-2-yl]triazol-4-yl]pyridine has a molecular weight of 381.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[1-[(2R)-oxan-2-yl]triazol-4-yl]pyridine is sourced from PubChem (CID 134841515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).