1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol

C10H19N3O2 — CID 106456459

IUPAC1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol
SMILESCC(C)COCCn1cc(C(C)O)nn1
InChIInChI=1S/C10H19N3O2/c1-8(2)7-15-5-4-13-6-10(9(3)14)11-12-13/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyMOGHYMNAYNGTBU-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.00
Rot. Bonds6

About 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol

1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol (PubChem CID 106456459) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol
PubChem CID106456459
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol
SMILESCC(C)COCCn1cc(C(C)O)nn1
InChIInChI=1S/C10H19N3O2/c1-8(2)7-15-5-4-13-6-10(9(3)14)11-12-13/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyMOGHYMNAYNGTBU-UHFFFAOYSA-N
XLogP1.00
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol
CID 106456465
(1R)-1-(1-propyltriazol-4-yl)ethanol
CID 130567201
1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol
CID 81444678
4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole
CID 106456469
1-(1-pentyltriazol-4-yl)ethanol
CID 81444188
2-methyl-N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449803
1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol
CID 81444223
N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449883
(1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol
CID 130567367
methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate
CID 95721059
1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]triazol-4-yl]ethanol
CID 81444296
(1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol
CID 130567336

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol (CID 106456459) is 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol is CC(C)COCCn1cc(C(C)O)nn1.
What is the InChIKey of 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol?
The InChIKey is MOGHYMNAYNGTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8(2)7-15-5-4-13-6-10(9(3)14)11-12-13/h6,8-9,14H,4-5,7H2,1-3H3.
What are the key properties of 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol?
1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol has a molecular weight of 213.28 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol is sourced from PubChem (CID 106456459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).