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

C9H17N3O2 — CID 114686807

IUPAC2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)propan-1-ol
SMILESCCOC(C)(C)C(O)c1cnnn1C
InChIInChI=1S/C9H17N3O2/c1-5-14-9(2,3)8(13)7-6-10-11-12(7)4/h6,8,13H,5H2,1-4H3
InChIKeyIZWZZPNFQMRPHX-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.66
Rot. Bonds4

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

2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)propan-1-ol (PubChem CID 114686807) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)propan-1-ol
PubChem CID114686807
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)propan-1-ol
SMILESCCOC(C)(C)C(O)c1cnnn1C
InChIInChI=1S/C9H17N3O2/c1-5-14-9(2,3)8(13)7-6-10-11-12(7)4/h6,8,13H,5H2,1-4H3
InChIKeyIZWZZPNFQMRPHX-UHFFFAOYSA-N
XLogP0.66
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol
CID 114686813
2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol
CID 114686804
2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 114689248
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
(4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114686506
1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
CID 105043778
2-ethoxy-2-methyl-1-(2-methylphenyl)propan-1-ol
CID 116713777
(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114686834
N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114687748
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol
CID 114645722
2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 116752121

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)propan-1-ol?
The IUPAC name of 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)propan-1-ol (CID 114686807) is 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)propan-1-ol?
The canonical SMILES for 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)propan-1-ol is CCOC(C)(C)C(O)c1cnnn1C.
What is the InChIKey of 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)propan-1-ol?
The InChIKey is IZWZZPNFQMRPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-5-14-9(2,3)8(13)7-6-10-11-12(7)4/h6,8,13H,5H2,1-4H3.
What are the key properties of 2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)propan-1-ol?
2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)propan-1-ol has a molecular weight of 199.25 g/mol, XLogP of 0.66, 4 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)propan-1-ol is sourced from PubChem (CID 114686807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).