4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one

C17H22N4O4 — CID 121117088

IUPAC4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one
SMILESCC1CN(C(=O)Cn2nc(-c3ccco3)n(C3CC3)c2=O)CC(C)O1
InChIInChI=1S/C17H22N4O4/c1-11-8-19(9-12(2)25-11)15(22)10-20-17(23)21(13-5-6-13)16(18-20)14-4-3-7-24-14/h3-4,7,11-13H,5-6,8-10H2,1-2H3
InChIKeyIXOZXXRDNWKYPN-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.28
Rot. Bonds4

About 4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one

4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one (PubChem CID 121117088) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one
PubChem CID121117088
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one
SMILESCC1CN(C(=O)Cn2nc(-c3ccco3)n(C3CC3)c2=O)CC(C)O1
InChIInChI=1S/C17H22N4O4/c1-11-8-19(9-12(2)25-11)15(22)10-20-17(23)21(13-5-6-13)16(18-20)14-4-3-7-24-14/h3-4,7,11-13H,5-6,8-10H2,1-2H3
InChIKeyIXOZXXRDNWKYPN-UHFFFAOYSA-N
XLogP1.28
TPSA82.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one (CID 121117088) is 4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one is CC1CN(C(=O)Cn2nc(-c3ccco3)n(C3CC3)c2=O)CC(C)O1.
What is the InChIKey of 4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one?
The InChIKey is IXOZXXRDNWKYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11-8-19(9-12(2)25-11)15(22)10-20-17(23)21(13-5-6-13)16(18-20)14-4-3-7-24-14/h3-4,7,11-13H,5-6,8-10H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one?
4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one has a molecular weight of 346.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one is sourced from PubChem (CID 121117088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).