4-cyclopropyl-5-[1-(2-ethoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

C15H26N4O2 — CID 90542920

IUPAC4-cyclopropyl-5-[1-(2-ethoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCCOCCN1CCC(c2nn(C)c(=O)n2C2CC2)CC1
InChIInChI=1S/C15H26N4O2/c1-3-21-11-10-18-8-6-12(7-9-18)14-16-17(2)15(20)19(14)13-4-5-13/h12-13H,3-11H2,1-2H3
InChIKeyQGNPEKXRCOQKDO-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.13
Rot. Bonds6

About 4-cyclopropyl-5-[1-(2-ethoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

4-cyclopropyl-5-[1-(2-ethoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (PubChem CID 90542920) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-cyclopropyl-5-[1-(2-ethoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-5-[1-(2-ethoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
PubChem CID90542920
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-cyclopropyl-5-[1-(2-ethoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCCOCCN1CCC(c2nn(C)c(=O)n2C2CC2)CC1
InChIInChI=1S/C15H26N4O2/c1-3-21-11-10-18-8-6-12(7-9-18)14-16-17(2)15(20)19(14)13-4-5-13/h12-13H,3-11H2,1-2H3
InChIKeyQGNPEKXRCOQKDO-UHFFFAOYSA-N
XLogP1.13
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-5-[1-(2-ethoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-5-[1-(2-ethoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (CID 90542920) is 4-cyclopropyl-5-[1-(2-ethoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-5-[1-(2-ethoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-5-[1-(2-ethoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is CCOCCN1CCC(c2nn(C)c(=O)n2C2CC2)CC1.
What is the InChIKey of 4-cyclopropyl-5-[1-(2-ethoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The InChIKey is QGNPEKXRCOQKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-21-11-10-18-8-6-12(7-9-18)14-16-17(2)15(20)19(14)13-4-5-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-cyclopropyl-5-[1-(2-ethoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
4-cyclopropyl-5-[1-(2-ethoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one has a molecular weight of 294.40 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[1-(2-ethoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 90542920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).