4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one

C9H15N3O2 — CID 107410789

IUPAC4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CC1CCCC1CO
InChIInChI=1S/C9H15N3O2/c13-5-8-3-1-2-7(8)4-12-6-10-11-9(12)14/h6-8,13H,1-5H2,(H,11,14)
InChIKeyDHPUBGJCXUQCTF-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.02
Rot. Bonds3

About 4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one

4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one (PubChem CID 107410789) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one
PubChem CID107410789
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CC1CCCC1CO
InChIInChI=1S/C9H15N3O2/c13-5-8-3-1-2-7(8)4-12-6-10-11-9(12)14/h6-8,13H,1-5H2,(H,11,14)
InChIKeyDHPUBGJCXUQCTF-UHFFFAOYSA-N
XLogP-0.02
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(hydroxymethyl)cyclopentyl]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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one (CID 107410789) is 4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1CC1CCCC1CO.
What is the InChIKey of 4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one?
The InChIKey is DHPUBGJCXUQCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-5-8-3-1-2-7(8)4-12-6-10-11-9(12)14/h6-8,13H,1-5H2,(H,11,14).
What are the key properties of 4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one?
4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one has a molecular weight of 197.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).