2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone

C12H15N5O3S — CID 2484012

IUPAC2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESNn1c(SCC(=O)N2CCOCC2)nnc1-c1ccco1
InChIInChI=1S/C12H15N5O3S/c13-17-11(9-2-1-5-20-9)14-15-12(17)21-8-10(18)16-3-6-19-7-4-16/h1-2,5H,3-4,6-8,13H2
InChIKeySZPHOLKPHIMCEC-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.20
Rot. Bonds4

About 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone

2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 2484012) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
PubChem CID2484012
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESNn1c(SCC(=O)N2CCOCC2)nnc1-c1ccco1
InChIInChI=1S/C12H15N5O3S/c13-17-11(9-2-1-5-20-9)14-15-12(17)21-8-10(18)16-3-6-19-7-4-16/h1-2,5H,3-4,6-8,13H2
InChIKeySZPHOLKPHIMCEC-UHFFFAOYSA-N
XLogP0.20
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone (CID 2484012) is 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone is Nn1c(SCC(=O)N2CCOCC2)nnc1-c1ccco1.
What is the InChIKey of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is SZPHOLKPHIMCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c13-17-11(9-2-1-5-20-9)14-15-12(17)21-8-10(18)16-3-6-19-7-4-16/h1-2,5H,3-4,6-8,13H2.
What are the key properties of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 309.35 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 2484012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).