4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine

C19H19N5O2S — CID 50755180

IUPAC4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine
SMILESc1coc(-c2nc3ccccc3c3nnc(SCCN4CCOCC4)n23)c1
InChIInChI=1S/C19H19N5O2S/c1-2-5-15-14(4-1)17-21-22-19(27-13-9-23-7-11-25-12-8-23)24(17)18(20-15)16-6-3-10-26-16/h1-6,10H,7-9,11-13H2
InChIKeyAHJOZCKRBJWNAX-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.96
Rot. Bonds5

About 4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine

4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine (PubChem CID 50755180) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine
PubChem CID50755180
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine
SMILESc1coc(-c2nc3ccccc3c3nnc(SCCN4CCOCC4)n23)c1
InChIInChI=1S/C19H19N5O2S/c1-2-5-15-14(4-1)17-21-22-19(27-13-9-23-7-11-25-12-8-23)24(17)18(20-15)16-6-3-10-26-16/h1-6,10H,7-9,11-13H2
InChIKeyAHJOZCKRBJWNAX-UHFFFAOYSA-N
XLogP2.96
TPSA68.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine (CID 50755180) is 4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine is c1coc(-c2nc3ccccc3c3nnc(SCCN4CCOCC4)n23)c1.
What is the InChIKey of 4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine?
The InChIKey is AHJOZCKRBJWNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-2-5-15-14(4-1)17-21-22-19(27-13-9-23-7-11-25-12-8-23)24(17)18(20-15)16-6-3-10-26-16/h1-6,10H,7-9,11-13H2.
What are the key properties of 4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine?
4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine has a molecular weight of 381.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine is sourced from PubChem (CID 50755180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).