[(2R,3S,6S)-3-amino-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-2-yl]methanol

C15H21N5O2 — CID 54639059

IUPAC[(2R,3S,6S)-3-amino-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-2-yl]methanol
SMILESN[C@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO
InChIInChI=1S/C15H21N5O2/c16-12-5-4-11(22-15(12)10-21)6-8-20-9-14(18-19-20)13-3-1-2-7-17-13/h1-3,7,9,11-12,15,21H,4-6,8,10,16H2/t11-,12-,15-/m0/s1
InChIKeyUZCFPAZMYSFTCU-HUBLWGQQSA-N
MW303.37 g/mol
LogP0.60
Rot. Bonds5

About [(2R,3S,6S)-3-amino-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-2-yl]methanol

[(2R,3S,6S)-3-amino-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-2-yl]methanol (PubChem CID 54639059) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [(2R,3S,6S)-3-amino-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,6S)-3-amino-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-2-yl]methanol
PubChem CID54639059
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[(2R,3S,6S)-3-amino-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-2-yl]methanol
SMILESN[C@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO
InChIInChI=1S/C15H21N5O2/c16-12-5-4-11(22-15(12)10-21)6-8-20-9-14(18-19-20)13-3-1-2-7-17-13/h1-3,7,9,11-12,15,21H,4-6,8,10,16H2/t11-,12-,15-/m0/s1
InChIKeyUZCFPAZMYSFTCU-HUBLWGQQSA-N
XLogP0.60
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6S)-3-amino-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-2-yl]methanol?
The IUPAC name of [(2R,3S,6S)-3-amino-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-2-yl]methanol (CID 54639059) is [(2R,3S,6S)-3-amino-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,6S)-3-amino-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-2-yl]methanol?
The canonical SMILES for [(2R,3S,6S)-3-amino-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-2-yl]methanol is N[C@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO.
What is the InChIKey of [(2R,3S,6S)-3-amino-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-2-yl]methanol?
The InChIKey is UZCFPAZMYSFTCU-HUBLWGQQSA-N. The full InChI is InChI=1S/C15H21N5O2/c16-12-5-4-11(22-15(12)10-21)6-8-20-9-14(18-19-20)13-3-1-2-7-17-13/h1-3,7,9,11-12,15,21H,4-6,8,10,16H2/t11-,12-,15-/m0/s1.
What are the key properties of [(2R,3S,6S)-3-amino-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-2-yl]methanol?
[(2R,3S,6S)-3-amino-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-2-yl]methanol has a molecular weight of 303.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-3-amino-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-2-yl]methanol is sourced from PubChem (CID 54639059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).