1-(2-ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol

C11H21N3O2 — CID 103027597

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol
SMILESCCn1ncnc1CC(O)CC(C)(C)OC
InChIInChI=1S/C11H21N3O2/c1-5-14-10(12-8-13-14)6-9(15)7-11(2,3)16-4/h8-9,15H,5-7H2,1-4H3
InChIKeyKWTOFLJMEJTBJZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.02
Rot. Bonds6

About 1-(2-ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol

1-(2-ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol (PubChem CID 103027597) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol
PubChem CID103027597
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol
SMILESCCn1ncnc1CC(O)CC(C)(C)OC
InChIInChI=1S/C11H21N3O2/c1-5-14-10(12-8-13-14)6-9(15)7-11(2,3)16-4/h8-9,15H,5-7H2,1-4H3
InChIKeyKWTOFLJMEJTBJZ-UHFFFAOYSA-N
XLogP1.02
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.02
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
4-Methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
CID 103027591
5,5,5-Trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
CID 79953741
5,5,5-Trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79954425
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol (CID 103027597) is 1-(2-ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol is CCn1ncnc1CC(O)CC(C)(C)OC.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol?
The InChIKey is KWTOFLJMEJTBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-14-10(12-8-13-14)6-9(15)7-11(2,3)16-4/h8-9,15H,5-7H2,1-4H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol?
1-(2-ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol has a molecular weight of 227.31 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,2,4-triazol-3-yl)-4-methoxy-4-methylpentan-2-ol is sourced from PubChem (CID 103027597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).