4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one

C8H13N3O2 — CID 107410824

IUPAC4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CC1(CCO)CC1
InChIInChI=1S/C8H13N3O2/c12-4-3-8(1-2-8)5-11-6-9-10-7(11)13/h6,12H,1-5H2,(H,10,13)
InChIKeyINVGCLFNKBMMEE-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.27
Rot. Bonds4

About 4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one

4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one (PubChem CID 107410824) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one
PubChem CID107410824
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CC1(CCO)CC1
InChIInChI=1S/C8H13N3O2/c12-4-3-8(1-2-8)5-11-6-9-10-7(11)13/h6,12H,1-5H2,(H,10,13)
InChIKeyINVGCLFNKBMMEE-UHFFFAOYSA-N
XLogP-0.27
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-hydroxy-2,2-dimethylbutyl)-1H-1,2,4-triazol-5-one
CID 106146069
4-(5-hydroxy-2,2-dimethylpentyl)-1H-1,2,4-triazol-5-one
CID 106146244
4-[2-ethyl-2-(hydroxymethyl)butyl]-1H-1,2,4-triazol-5-one
CID 106253927
4-(2-ethyl-4-hydroxybutyl)-1H-1,2,4-triazol-5-one
CID 107410801
4-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one
CID 107410803
4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one
CID 107410805

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one (CID 107410824) is 4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1CC1(CCO)CC1.
What is the InChIKey of 4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one?
The InChIKey is INVGCLFNKBMMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-4-3-8(1-2-8)5-11-6-9-10-7(11)13/h6,12H,1-5H2,(H,10,13).
What are the key properties of 4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one?
4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one has a molecular weight of 183.21 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).