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

C11H19N3O2 — CID 136999626

IUPAC2-cyclohexyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CCCO)nn1C1CCCCC1
InChIInChI=1S/C11H19N3O2/c15-8-4-7-10-12-11(16)14(13-10)9-5-2-1-3-6-9/h9,15H,1-8H2,(H,12,13,16)
InChIKeyBLVMHORYJYAGGF-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.00
Rot. Bonds4

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

2-cyclohexyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one (PubChem CID 136999626) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-cyclohexyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-cyclohexyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
PubChem CID136999626
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-cyclohexyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CCCO)nn1C1CCCCC1
InChIInChI=1S/C11H19N3O2/c15-8-4-7-10-12-11(16)14(13-10)9-5-2-1-3-6-9/h9,15H,1-8H2,(H,12,13,16)
InChIKeyBLVMHORYJYAGGF-UHFFFAOYSA-N
XLogP1.00
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-cyclohexyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one (CID 136999626) is 2-cyclohexyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-cyclohexyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-cyclohexyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one is O=c1[nH]c(CCCO)nn1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one?
The InChIKey is BLVMHORYJYAGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c15-8-4-7-10-12-11(16)14(13-10)9-5-2-1-3-6-9/h9,15H,1-8H2,(H,12,13,16).
What are the key properties of 2-cyclohexyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one?
2-cyclohexyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one has a molecular weight of 225.29 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136999626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).