2-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol

C6H11N3O2 — CID 86233232

IUPAC2-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol
SMILESCn1c(CO)nnc1CCO
InChIInChI=1S/C6H11N3O2/c1-9-5(2-3-10)7-8-6(9)4-11/h10-11H,2-4H2,1H3
InChIKeyWRQFQJPYOCOCCU-UHFFFAOYSA-N
MW157.17 g/mol
LogP-1.16
Rot. Bonds3

About 2-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol

2-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol (PubChem CID 86233232) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol
PubChem CID86233232
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name2-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol
SMILESCn1c(CO)nnc1CCO
InChIInChI=1S/C6H11N3O2/c1-9-5(2-3-10)7-8-6(9)4-11/h10-11H,2-4H2,1H3
InChIKeyWRQFQJPYOCOCCU-UHFFFAOYSA-N
XLogP-1.16
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of 2-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol (CID 86233232) is 2-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for 2-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol is Cn1c(CO)nnc1CCO.
What is the InChIKey of 2-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol?
The InChIKey is WRQFQJPYOCOCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-9-5(2-3-10)7-8-6(9)4-11/h10-11H,2-4H2,1H3.
What are the key properties of 2-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol?
2-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol has a molecular weight of 157.17 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 86233232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).