1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol

C6H11N3O2 — CID 3453702

IUPAC1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol
SMILESCC(O)c1n[nH]c(C(C)O)n1
InChIInChI=1S/C6H11N3O2/c1-3(10)5-7-6(4(2)11)9-8-5/h3-4,10-11H,1-2H3,(H,7,8,9)
InChIKeyQDNXWRJMKKTXMG-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.09
Rot. Bonds2

About 1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol

1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol (PubChem CID 3453702) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol
PubChem CID3453702
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol
SMILESCC(O)c1n[nH]c(C(C)O)n1
InChIInChI=1S/C6H11N3O2/c1-3(10)5-7-6(4(2)11)9-8-5/h3-4,10-11H,1-2H3,(H,7,8,9)
InChIKeyQDNXWRJMKKTXMG-UHFFFAOYSA-N
XLogP-0.09
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol?
The IUPAC name of 1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol (CID 3453702) is 1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol is CC(O)c1n[nH]c(C(C)O)n1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol?
The InChIKey is QDNXWRJMKKTXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-3(10)5-7-6(4(2)11)9-8-5/h3-4,10-11H,1-2H3,(H,7,8,9).
What are the key properties of 1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol?
1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol has a molecular weight of 157.17 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethanol is sourced from PubChem (CID 3453702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).