4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol

C13H25N3O2 — CID 103027591

IUPAC4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
SMILESCOC(C)(C)CC(O)Cc1ncnn1CC(C)C
InChIInChI=1S/C13H25N3O2/c1-10(2)8-16-12(14-9-15-16)6-11(17)7-13(3,4)18-5/h9-11,17H,6-8H2,1-5H3
InChIKeyMXORNCAWNXYYLI-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.65
Rot. Bonds7

About 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol

4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol (PubChem CID 103027591) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
PubChem CID103027591
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
SMILESCOC(C)(C)CC(O)Cc1ncnn1CC(C)C
InChIInChI=1S/C13H25N3O2/c1-10(2)8-16-12(14-9-15-16)6-11(17)7-13(3,4)18-5/h9-11,17H,6-8H2,1-5H3
InChIKeyMXORNCAWNXYYLI-UHFFFAOYSA-N
XLogP1.65
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 103027585
4-Methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 103027589
1-(2-Ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027597
5,5,5-Trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
CID 79953741
1-(2-Propan-2-yl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 103147426
1-[2-(2-Methylpropyl)-1,2,4-triazol-3-yl]-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 103147485
1-(2-Propyl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 103147554
4-(2,2-Difluoroethoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 103147703
4-(2,2-Difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ol
CID 103147773
4-(2,2-Difluoroethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol
CID 103147826
4-(2,2-Difluoroethoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-ol
CID 103147866
1-(2-Ethyl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 113780788

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol?
The IUPAC name of 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol (CID 103027591) is 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol is COC(C)(C)CC(O)Cc1ncnn1CC(C)C.
What is the InChIKey of 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol?
The InChIKey is MXORNCAWNXYYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)8-16-12(14-9-15-16)6-11(17)7-13(3,4)18-5/h9-11,17H,6-8H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol?
4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol has a molecular weight of 255.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol is sourced from PubChem (CID 103027591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).