2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one

C8H13N3O2 — CID 136966020

IUPAC2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CO)nn1C1CCCC1
InChIInChI=1S/C8H13N3O2/c12-5-7-9-8(13)11(10-7)6-3-1-2-4-6/h6,12H,1-5H2,(H,9,10,13)
InChIKeyMOCVJGLXSFSPDW-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.18
Rot. Bonds2

About 2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one

2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one (PubChem CID 136966020) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
PubChem CID136966020
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CO)nn1C1CCCC1
InChIInChI=1S/C8H13N3O2/c12-5-7-9-8(13)11(10-7)6-3-1-2-4-6/h6,12H,1-5H2,(H,9,10,13)
InChIKeyMOCVJGLXSFSPDW-UHFFFAOYSA-N
XLogP0.18
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
CID 136965953
5-(hydroxymethyl)-2-propan-2-yl-4H-1,2,4-triazol-3-one
CID 136965957
2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
CID 136965973
2-cyclohexyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
CID 136982051
2-cyclopentyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 136982053
2-cycloheptyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
CID 136982168
2-cyclopentyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
CID 136982169

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one (CID 136966020) is 2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one is O=c1[nH]c(CO)nn1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one?
The InChIKey is MOCVJGLXSFSPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-5-7-9-8(13)11(10-7)6-3-1-2-4-6/h6,12H,1-5H2,(H,9,10,13).
What are the key properties of 2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one?
2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one has a molecular weight of 183.21 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136966020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).