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

C10H17N3O2 — CID 136982169

IUPAC2-cyclopentyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CCCO)nn1C1CCCC1
InChIInChI=1S/C10H17N3O2/c14-7-3-6-9-11-10(15)13(12-9)8-4-1-2-5-8/h8,14H,1-7H2,(H,11,12,15)
InChIKeyGTDWBACGYZWUFS-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.61
Rot. Bonds4

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

2-cyclopentyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one (PubChem CID 136982169) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-cyclopentyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-cyclopentyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
PubChem CID136982169
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-cyclopentyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CCCO)nn1C1CCCC1
InChIInChI=1S/C10H17N3O2/c14-7-3-6-9-11-10(15)13(12-9)8-4-1-2-5-8/h8,14H,1-7H2,(H,11,12,15)
InChIKeyGTDWBACGYZWUFS-UHFFFAOYSA-N
XLogP0.61
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyl-5-(3-hydroxypropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50951668
2-ethyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
CID 136965981
2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
CID 136966020
2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
CID 136966021
2-cyclobutyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 136966022
5-(3-hydroxypropyl)-2-propan-2-yl-4H-1,2,4-triazol-3-one
CID 136966033
2-cyclobutyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
CID 136982052
2-cyclopentyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 136982053
2-cyclohexyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 136982170
2-cyclohexyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
CID 136999626
2-cycloheptyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 136999627
2-cycloheptyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
CID 137015128

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-cyclopentyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one (CID 136982169) is 2-cyclopentyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-cyclopentyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-cyclopentyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one is O=c1[nH]c(CCCO)nn1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one?
The InChIKey is GTDWBACGYZWUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c14-7-3-6-9-11-10(15)13(12-9)8-4-1-2-5-8/h8,14H,1-7H2,(H,11,12,15).
What are the key properties of 2-cyclopentyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one?
2-cyclopentyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136982169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).