cyclohexyl 2-(1H-1,2,4-triazol-5-yl)acetate

C10H15N3O2 — CID 57466408

IUPACcyclohexyl 2-(1H-1,2,4-triazol-5-yl)acetate
SMILESO=C(Cc1ncn[nH]1)OC1CCCCC1
InChIInChI=1S/C10H15N3O2/c14-10(6-9-11-7-12-13-9)15-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,11,12,13)
InChIKeyPBNYYBMWEPUKSX-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.22
Rot. Bonds3

About cyclohexyl 2-(1H-1,2,4-triazol-5-yl)acetate

cyclohexyl 2-(1H-1,2,4-triazol-5-yl)acetate (PubChem CID 57466408) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is cyclohexyl 2-(1H-1,2,4-triazol-5-yl)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(1H-1,2,4-triazol-5-yl)acetate
PubChem CID57466408
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namecyclohexyl 2-(1H-1,2,4-triazol-5-yl)acetate
SMILESO=C(Cc1ncn[nH]1)OC1CCCCC1
InChIInChI=1S/C10H15N3O2/c14-10(6-9-11-7-12-13-9)15-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,11,12,13)
InChIKeyPBNYYBMWEPUKSX-UHFFFAOYSA-N
XLogP1.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(1H-1,2,4-triazol-5-yl)acetate?
The IUPAC name of cyclohexyl 2-(1H-1,2,4-triazol-5-yl)acetate (CID 57466408) is cyclohexyl 2-(1H-1,2,4-triazol-5-yl)acetate.
What is the SMILES notation for cyclohexyl 2-(1H-1,2,4-triazol-5-yl)acetate?
The canonical SMILES for cyclohexyl 2-(1H-1,2,4-triazol-5-yl)acetate is O=C(Cc1ncn[nH]1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(1H-1,2,4-triazol-5-yl)acetate?
The InChIKey is PBNYYBMWEPUKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10(6-9-11-7-12-13-9)15-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,11,12,13).
What are the key properties of cyclohexyl 2-(1H-1,2,4-triazol-5-yl)acetate?
cyclohexyl 2-(1H-1,2,4-triazol-5-yl)acetate has a molecular weight of 209.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(1H-1,2,4-triazol-5-yl)acetate is sourced from PubChem (CID 57466408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).