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

C12H12N4O3 — CID 141112244

IUPAC[2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-4-yl]methanol
SMILESOCC1=COC(Cn2cncn2)(c2ccccn2)O1
InChIInChI=1S/C12H12N4O3/c17-5-10-6-18-12(19-10,7-16-9-13-8-15-16)11-3-1-2-4-14-11/h1-4,6,8-9,17H,5,7H2
InChIKeyHCFPOEUYTPIHHD-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.41
Rot. Bonds4

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

[2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-4-yl]methanol (PubChem CID 141112244) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is [2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-4-yl]methanol.

Molecular Properties

Compound Name[2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-4-yl]methanol
PubChem CID141112244
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name[2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-4-yl]methanol
SMILESOCC1=COC(Cn2cncn2)(c2ccccn2)O1
InChIInChI=1S/C12H12N4O3/c17-5-10-6-18-12(19-10,7-16-9-13-8-15-16)11-3-1-2-4-14-11/h1-4,6,8-9,17H,5,7H2
InChIKeyHCFPOEUYTPIHHD-UHFFFAOYSA-N
XLogP0.41
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

[2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-4-yl]methyl acetate
CID 141112251
1-[(2-phenyl-1,3-dioxol-2-yl)methyl]-1,2,4-triazole
CID 156783536
4-methyl-2-[[(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]benzenesulfonic acid
CID 87731449
1-(4-chlorophenyl)-1-(1-pyridin-2-ylcyclopropyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 76899928
[2-(1-benzofuran-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 70500334
[2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 21281912
(1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol
CID 92754326
1-(oxiren-2-ylmethyl)-1,2,4-triazole
CID 68765220
1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,4-triazole
CID 11460634
(2R,3R)-5-bromo-2-[(S)-hydroxy(phenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)-3H-1-benzofuran-3-ol
CID 40628776
1-[[2-phenyl-4-(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 129132218
1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole;sulfuric acid
CID 70607270

Frequently Asked Questions

What is the IUPAC name of [2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-4-yl]methanol?
The IUPAC name of [2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-4-yl]methanol (CID 141112244) is [2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-4-yl]methanol.
What is the SMILES notation for [2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-4-yl]methanol?
The canonical SMILES for [2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-4-yl]methanol is OCC1=COC(Cn2cncn2)(c2ccccn2)O1.
What is the InChIKey of [2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-4-yl]methanol?
The InChIKey is HCFPOEUYTPIHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-5-10-6-18-12(19-10,7-16-9-13-8-15-16)11-3-1-2-4-14-11/h1-4,6,8-9,17H,5,7H2.
What are the key properties of [2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-4-yl]methanol?
[2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-4-yl]methanol has a molecular weight of 260.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-4-yl]methanol is sourced from PubChem (CID 141112244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).