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

C9H15N3O2 — CID 107410803

IUPAC4-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CC1(CO)CCCC1
InChIInChI=1S/C9H15N3O2/c13-6-9(3-1-2-4-9)5-12-7-10-11-8(12)14/h7,13H,1-6H2,(H,11,14)
InChIKeyRRMJMIXLMJZBKI-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.12
Rot. Bonds3

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

4-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one (PubChem CID 107410803) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one
PubChem CID107410803
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CC1(CO)CCCC1
InChIInChI=1S/C9H15N3O2/c13-6-9(3-1-2-4-9)5-12-7-10-11-8(12)14/h7,13H,1-6H2,(H,11,14)
InChIKeyRRMJMIXLMJZBKI-UHFFFAOYSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-hydroxyethyl)pentyl]-1H-1,2,4-triazol-5-one
CID 106116968
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-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazol-5-one
CID 106364677
4-[1-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazol-5-one
CID 107410761
4-[(2-hydroxycyclopentyl)methyl]-1H-1,2,4-triazol-5-one
CID 107410788
4-[[2-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one
CID 107410789
4-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-1,2,4-triazol-5-one
CID 107410808
4-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one
CID 107410824
4-(6-hydroxyhexyl)-1H-1,2,4-triazol-5-one
CID 107849650
4-(1-cyclopentyl-2-hydroxyethyl)-1H-1,2,4-triazol-5-one
CID 130815775

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one (CID 107410803) is 4-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1CC1(CO)CCCC1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one?
The InChIKey is RRMJMIXLMJZBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-6-9(3-1-2-4-9)5-12-7-10-11-8(12)14/h7,13H,1-6H2,(H,11,14).
What are the key properties of 4-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one?
4-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one has a molecular weight of 197.24 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).