[(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol

C12H14N4O3 — CID 68514541

IUPAC[(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
SMILESOC[C@@H]1CO[C@@](Cn2cncn2)(c2ccccn2)O1
InChIInChI=1S/C12H14N4O3/c17-5-10-6-18-12(19-10,7-16-9-13-8-15-16)11-3-1-2-4-14-11/h1-4,8-10,17H,5-7H2/t10-,12-/m1/s1
InChIKeyRJFZOUSCKLYMFN-ZYHUDNBSSA-N
MW262.27 g/mol
LogP-0.07
Rot. Bonds4

About [(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol

[(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 68514541) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is [(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
PubChem CID68514541
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name[(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
SMILESOC[C@@H]1CO[C@@](Cn2cncn2)(c2ccccn2)O1
InChIInChI=1S/C12H14N4O3/c17-5-10-6-18-12(19-10,7-16-9-13-8-15-16)11-3-1-2-4-14-11/h1-4,8-10,17H,5-7H2/t10-,12-/m1/s1
InChIKeyRJFZOUSCKLYMFN-ZYHUDNBSSA-N
XLogP-0.07
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol (CID 68514541) is [(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol is OC[C@@H]1CO[C@@](Cn2cncn2)(c2ccccn2)O1.
What is the InChIKey of [(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is RJFZOUSCKLYMFN-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H14N4O3/c17-5-10-6-18-12(19-10,7-16-9-13-8-15-16)11-3-1-2-4-14-11/h1-4,8-10,17H,5-7H2/t10-,12-/m1/s1.
What are the key properties of [(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol?
[(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 262.27 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 68514541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).