4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one

C11H19N3O2 — CID 71195153

IUPAC4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one
SMILESCCCOCCc1nn(C)c(=O)n1C1CC1
InChIInChI=1S/C11H19N3O2/c1-3-7-16-8-6-10-12-13(2)11(15)14(10)9-4-5-9/h9H,3-8H2,1-2H3
InChIKeyDXZBXMUXWGAMRN-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.89
Rot. Bonds6

About 4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one

4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one (PubChem CID 71195153) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one
PubChem CID71195153
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one
SMILESCCCOCCc1nn(C)c(=O)n1C1CC1
InChIInChI=1S/C11H19N3O2/c1-3-7-16-8-6-10-12-13(2)11(15)14(10)9-4-5-9/h9H,3-8H2,1-2H3
InChIKeyDXZBXMUXWGAMRN-UHFFFAOYSA-N
XLogP0.89
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one (CID 71195153) is 4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one is CCCOCCc1nn(C)c(=O)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one?
The InChIKey is DXZBXMUXWGAMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-7-16-8-6-10-12-13(2)11(15)14(10)9-4-5-9/h9H,3-8H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one?
4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 71195153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).