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

C14H24N4O2 — CID 90542925

IUPAC4-cyclopropyl-5-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCOCCN1CCC(c2nn(C)c(=O)n2C2CC2)CC1
InChIInChI=1S/C14H24N4O2/c1-16-14(19)18(12-3-4-12)13(15-16)11-5-7-17(8-6-11)9-10-20-2/h11-12H,3-10H2,1-2H3
InChIKeyIAHFUXBAHXJAJA-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.74
Rot. Bonds5

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

4-cyclopropyl-5-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (PubChem CID 90542925) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-cyclopropyl-5-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-5-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
PubChem CID90542925
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-cyclopropyl-5-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCOCCN1CCC(c2nn(C)c(=O)n2C2CC2)CC1
InChIInChI=1S/C14H24N4O2/c1-16-14(19)18(12-3-4-12)13(15-16)11-5-7-17(8-6-11)9-10-20-2/h11-12H,3-10H2,1-2H3
InChIKeyIAHFUXBAHXJAJA-UHFFFAOYSA-N
XLogP0.74
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-5-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (CID 90542925) is 4-cyclopropyl-5-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-5-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-5-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is COCCN1CCC(c2nn(C)c(=O)n2C2CC2)CC1.
What is the InChIKey of 4-cyclopropyl-5-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The InChIKey is IAHFUXBAHXJAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-16-14(19)18(12-3-4-12)13(15-16)11-5-7-17(8-6-11)9-10-20-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-cyclopropyl-5-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
4-cyclopropyl-5-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one has a molecular weight of 280.37 g/mol, XLogP of 0.74, 5 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-methoxyethyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 90542925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).