4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol

C9H17N3O2 — CID 107045742

IUPAC4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol
SMILESCOCCC(C)(O)Cc1cn(C)nn1
InChIInChI=1S/C9H17N3O2/c1-9(13,4-5-14-3)6-8-7-12(2)11-10-8/h7,13H,4-6H2,1-3H3
InChIKeyWDEOLEIEURXADS-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.15
Rot. Bonds5

About 4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol

4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol (PubChem CID 107045742) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol
PubChem CID107045742
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol
SMILESCOCCC(C)(O)Cc1cn(C)nn1
InChIInChI=1S/C9H17N3O2/c1-9(13,4-5-14-3)6-8-7-12(2)11-10-8/h7,13H,4-6H2,1-3H3
InChIKeyWDEOLEIEURXADS-UHFFFAOYSA-N
XLogP0.15
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057682
4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 62127829
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
1-(cyclopropylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057678
2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057685
2-cyclopropyl-1-(1-methyltriazol-4-yl)propan-2-ol
CID 107045723
3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107059032
4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107047724
2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045738
2,2-difluoro-3-(1-methyltriazol-4-yl)propanoic acid
CID 165462011
4-[2-(chloromethyl)-2-methylpentyl]-1-methyltriazole
CID 107057943
4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole
CID 160685427

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol (CID 107045742) is 4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol is COCCC(C)(O)Cc1cn(C)nn1.
What is the InChIKey of 4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol?
The InChIKey is WDEOLEIEURXADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(13,4-5-14-3)6-8-7-12(2)11-10-8/h7,13H,4-6H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol?
4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol has a molecular weight of 199.25 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol is sourced from PubChem (CID 107045742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).