[4-tert-butyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol

C14H25N3O2 — CID 115396457

IUPAC[4-tert-butyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol
SMILESCC1OC(C)C(c2nnc(CO)n2C(C)(C)C)C1C
InChIInChI=1S/C14H25N3O2/c1-8-9(2)19-10(3)12(8)13-16-15-11(7-18)17(13)14(4,5)6/h8-10,12,18H,7H2,1-6H3
InChIKeyMVKJIDKGSYGGLB-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.05
Rot. Bonds2

About [4-tert-butyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol

[4-tert-butyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol (PubChem CID 115396457) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is [4-tert-butyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol
PubChem CID115396457
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name[4-tert-butyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol
SMILESCC1OC(C)C(c2nnc(CO)n2C(C)(C)C)C1C
InChIInChI=1S/C14H25N3O2/c1-8-9(2)19-10(3)12(8)13-16-15-11(7-18)17(13)14(4,5)6/h8-10,12,18H,7H2,1-6H3
InChIKeyMVKJIDKGSYGGLB-UHFFFAOYSA-N
XLogP2.05
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-tert-butyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol (CID 115396457) is [4-tert-butyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-tert-butyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-tert-butyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol is CC1OC(C)C(c2nnc(CO)n2C(C)(C)C)C1C.
What is the InChIKey of [4-tert-butyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is MVKJIDKGSYGGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-8-9(2)19-10(3)12(8)13-16-15-11(7-18)17(13)14(4,5)6/h8-10,12,18H,7H2,1-6H3.
What are the key properties of [4-tert-butyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol?
[4-tert-butyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 267.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).