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

C12H23N3O2 — CID 103022869

IUPAC[4-tert-butyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCOC(C)(C)Cc1nnc(CO)n1C(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-11(2,3)15-9(7-12(4,5)17-6)13-14-10(15)8-16/h16H,7-8H2,1-6H3
InChIKeyWPBMXWCNXRWLOM-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.49
Rot. Bonds4

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

[4-tert-butyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 103022869) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is [4-tert-butyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol
PubChem CID103022869
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name[4-tert-butyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCOC(C)(C)Cc1nnc(CO)n1C(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-11(2,3)15-9(7-12(4,5)17-6)13-14-10(15)8-16/h16H,7-8H2,1-6H3
InChIKeyWPBMXWCNXRWLOM-UHFFFAOYSA-N
XLogP1.49
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.49
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-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-tert-butyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol (CID 103022869) is [4-tert-butyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-tert-butyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-tert-butyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol is COC(C)(C)Cc1nnc(CO)n1C(C)(C)C.
What is the InChIKey of [4-tert-butyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is WPBMXWCNXRWLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(2,3)15-9(7-12(4,5)17-6)13-14-10(15)8-16/h16H,7-8H2,1-6H3.
What are the key properties of [4-tert-butyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
[4-tert-butyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 241.33 g/mol, XLogP of 1.49, 4 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-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103022869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).