1-(1-methyltriazol-4-yl)ethanol

C5H9N3O — CID 81445217

IUPAC1-(1-methyltriazol-4-yl)ethanol
SMILESCC(O)c1cn(C)nn1
InChIInChI=1S/C5H9N3O/c1-4(9)5-3-8(2)7-6-5/h3-4,9H,1-2H3
InChIKeyKHLJOFMIDILHNE-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.13
Rot. Bonds1

About 1-(1-methyltriazol-4-yl)ethanol

1-(1-methyltriazol-4-yl)ethanol (PubChem CID 81445217) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-methyltriazol-4-yl)ethanol
PubChem CID81445217
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-(1-methyltriazol-4-yl)ethanol
SMILESCC(O)c1cn(C)nn1
InChIInChI=1S/C5H9N3O/c1-4(9)5-3-8(2)7-6-5/h3-4,9H,1-2H3
InChIKeyKHLJOFMIDILHNE-UHFFFAOYSA-N
XLogP-0.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(1-methyltriazol-4-yl)ethanol (CID 81445217) is 1-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(1-methyltriazol-4-yl)ethanol is CC(O)c1cn(C)nn1.
What is the InChIKey of 1-(1-methyltriazol-4-yl)ethanol?
The InChIKey is KHLJOFMIDILHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4(9)5-3-8(2)7-6-5/h3-4,9H,1-2H3.
What are the key properties of 1-(1-methyltriazol-4-yl)ethanol?
1-(1-methyltriazol-4-yl)ethanol has a molecular weight of 127.15 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 81445217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).