2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol

C10H19N3O2 — CID 114686813

IUPAC2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol
SMILESCCOC(C)(CC)C(O)c1cnnn1C
InChIInChI=1S/C10H19N3O2/c1-5-10(3,15-6-2)9(14)8-7-11-12-13(8)4/h7,9,14H,5-6H2,1-4H3
InChIKeyVPHGJHKINPIUSN-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.05
Rot. Bonds5

About 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol

2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol (PubChem CID 114686813) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol
PubChem CID114686813
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol
SMILESCCOC(C)(CC)C(O)c1cnnn1C
InChIInChI=1S/C10H19N3O2/c1-5-10(3,15-6-2)9(14)8-7-11-12-13(8)4/h7,9,14H,5-6H2,1-4H3
InChIKeyVPHGJHKINPIUSN-UHFFFAOYSA-N
XLogP1.05
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)propan-1-ol
CID 114686807
2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 116752121
2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol
CID 114686804
2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol
CID 116752129
2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine
CID 114689268
2-ethoxy-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 116752175
2-amino-1-(3-methyltriazol-4-yl)ethanol
CID 114685353
2-methyl-1-(3-methyltriazol-4-yl)-2-morpholin-4-ylpropan-1-ol
CID 114686567
[2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine
CID 105274950
2-ethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114645742
2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol
CID 116752226
2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 116752097

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol?
The IUPAC name of 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol (CID 114686813) is 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol?
The canonical SMILES for 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol is CCOC(C)(CC)C(O)c1cnnn1C.
What is the InChIKey of 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol?
The InChIKey is VPHGJHKINPIUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-5-10(3,15-6-2)9(14)8-7-11-12-13(8)4/h7,9,14H,5-6H2,1-4H3.
What are the key properties of 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol?
2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol has a molecular weight of 213.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol is sourced from PubChem (CID 114686813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).