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

C8H15N3O2 — CID 107047724

IUPAC4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol
SMILESCOCCC(O)Cc1cn(C)nn1
InChIInChI=1S/C8H15N3O2/c1-11-6-7(9-10-11)5-8(12)3-4-13-2/h6,8,12H,3-5H2,1-2H3
InChIKeyXSLYKXXTBDTVAZ-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.25
Rot. Bonds5

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

4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol (PubChem CID 107047724) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol
PubChem CID107047724
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol
SMILESCOCCC(O)Cc1cn(C)nn1
InChIInChI=1S/C8H15N3O2/c1-11-6-7(9-10-11)5-8(12)3-4-13-2/h6,8,12H,3-5H2,1-2H3
InChIKeyXSLYKXXTBDTVAZ-UHFFFAOYSA-N
XLogP-0.25
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999
1-(1-methyltriazol-4-yl)hexan-2-ol
CID 107046013
1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047720
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045928
3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107048161
2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357
1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047739
1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057618
4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107051391
4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107045742
1-(4-methylphenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047903

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol?
The IUPAC name of 4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol (CID 107047724) is 4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol.
What is the SMILES notation for 4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol?
The canonical SMILES for 4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol is COCCC(O)Cc1cn(C)nn1.
What is the InChIKey of 4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol?
The InChIKey is XSLYKXXTBDTVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-11-6-7(9-10-11)5-8(12)3-4-13-2/h6,8,12H,3-5H2,1-2H3.
What are the key properties of 4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol?
4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol has a molecular weight of 185.23 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol is sourced from PubChem (CID 107047724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).