1-(3-methyl-1,2,4-triazol-1-yl)ethanol

C5H9N3O — CID 57210631

IUPAC1-(3-methyl-1,2,4-triazol-1-yl)ethanol
SMILESCc1ncn(C(C)O)n1
InChIInChI=1S/C5H9N3O/c1-4-6-3-8(7-4)5(2)9/h3,5,9H,1-2H3
InChIKeyMVYJLINOYDVOEH-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.10
Rot. Bonds1

About 1-(3-methyl-1,2,4-triazol-1-yl)ethanol

1-(3-methyl-1,2,4-triazol-1-yl)ethanol (PubChem CID 57210631) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-triazol-1-yl)ethanol
PubChem CID57210631
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-(3-methyl-1,2,4-triazol-1-yl)ethanol
SMILESCc1ncn(C(C)O)n1
InChIInChI=1S/C5H9N3O/c1-4-6-3-8(7-4)5(2)9/h3,5,9H,1-2H3
InChIKeyMVYJLINOYDVOEH-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 1-(3-methyl-1,2,4-triazol-1-yl)ethanol (CID 57210631) is 1-(3-methyl-1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 1-(3-methyl-1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 1-(3-methyl-1,2,4-triazol-1-yl)ethanol is Cc1ncn(C(C)O)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-triazol-1-yl)ethanol?
The InChIKey is MVYJLINOYDVOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4-6-3-8(7-4)5(2)9/h3,5,9H,1-2H3.
What are the key properties of 1-(3-methyl-1,2,4-triazol-1-yl)ethanol?
1-(3-methyl-1,2,4-triazol-1-yl)ethanol has a molecular weight of 127.15 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 57210631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).