4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol

C12H23N3O2 — CID 103027589

IUPAC4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCOC(C)(C)CC(O)Cc1ncnn1C(C)C
InChIInChI=1S/C12H23N3O2/c1-9(2)15-11(13-8-14-15)6-10(16)7-12(3,4)17-5/h8-10,16H,6-7H2,1-5H3
InChIKeyXSPDOVCCOWVTNB-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.58
Rot. Bonds6

About 4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol

4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol (PubChem CID 103027589) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
PubChem CID103027589
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCOC(C)(C)CC(O)Cc1ncnn1C(C)C
InChIInChI=1S/C12H23N3O2/c1-9(2)15-11(13-8-14-15)6-10(16)7-12(3,4)17-5/h8-10,16H,6-7H2,1-5H3
InChIKeyXSPDOVCCOWVTNB-UHFFFAOYSA-N
XLogP1.58
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
The IUPAC name of 4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol (CID 103027589) is 4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol is COC(C)(C)CC(O)Cc1ncnn1C(C)C.
What is the InChIKey of 4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
The InChIKey is XSPDOVCCOWVTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)15-11(13-8-14-15)6-10(16)7-12(3,4)17-5/h8-10,16H,6-7H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 1.58, 6 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-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol is sourced from PubChem (CID 103027589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).