[5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol

C10H12N4O2S — CID 82220800

IUPAC[5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2nccs2)c1C1CCCO1
InChIInChI=1S/C10H12N4O2S/c15-6-7-9(8-2-1-4-16-8)14(13-12-7)10-11-3-5-17-10/h3,5,8,15H,1-2,4,6H2
InChIKeySPQKSZFBUZXHBH-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.07
Rot. Bonds3

About [5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol

[5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol (PubChem CID 82220800) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is [5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol
PubChem CID82220800
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name[5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2nccs2)c1C1CCCO1
InChIInChI=1S/C10H12N4O2S/c15-6-7-9(8-2-1-4-16-8)14(13-12-7)10-11-3-5-17-10/h3,5,8,15H,1-2,4,6H2
InChIKeySPQKSZFBUZXHBH-UHFFFAOYSA-N
XLogP1.07
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol?
The IUPAC name of [5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol (CID 82220800) is [5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol?
The canonical SMILES for [5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol is OCc1nnn(-c2nccs2)c1C1CCCO1.
What is the InChIKey of [5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol?
The InChIKey is SPQKSZFBUZXHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c15-6-7-9(8-2-1-4-16-8)14(13-12-7)10-11-3-5-17-10/h3,5,8,15H,1-2,4,6H2.
What are the key properties of [5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol?
[5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol has a molecular weight of 252.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol is sourced from PubChem (CID 82220800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).