3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one

C13H15N3O2 — CID 50970762

IUPAC3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one
SMILESCCOc1ccccc1-n1c(C2CC2)n[nH]c1=O
InChIInChI=1S/C13H15N3O2/c1-2-18-11-6-4-3-5-10(11)16-12(9-7-8-9)14-15-13(16)17/h3-6,9H,2,7-8H2,1H3,(H,15,17)
InChIKeyFTMOEOVRTREWKK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.84
Rot. Bonds4

About 3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one

3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one (PubChem CID 50970762) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one
PubChem CID50970762
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one
SMILESCCOc1ccccc1-n1c(C2CC2)n[nH]c1=O
InChIInChI=1S/C13H15N3O2/c1-2-18-11-6-4-3-5-10(11)16-12(9-7-8-9)14-15-13(16)17/h3-6,9H,2,7-8H2,1H3,(H,15,17)
InChIKeyFTMOEOVRTREWKK-UHFFFAOYSA-N
XLogP1.84
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one (CID 50970762) is 3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one is CCOc1ccccc1-n1c(C2CC2)n[nH]c1=O.
What is the InChIKey of 3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one?
The InChIKey is FTMOEOVRTREWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-18-11-6-4-3-5-10(11)16-12(9-7-8-9)14-15-13(16)17/h3-6,9H,2,7-8H2,1H3,(H,15,17).
What are the key properties of 3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one?
3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one has a molecular weight of 245.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 50970762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).