10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one

C14H11N5O2S — CID 15085566

IUPAC10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one
SMILESCn1c(=O)c2ccsc2n2cnc(-c3noc(C4CC4)n3)c12
InChIInChI=1S/C14H11N5O2S/c1-18-12-9(10-16-11(21-17-10)7-2-3-7)15-6-19(12)14-8(13(18)20)4-5-22-14/h4-7H,2-3H2,1H3
InChIKeyWKVTXYRWJXPGPH-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.18
Rot. Bonds2

About 10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one

10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one (PubChem CID 15085566) has the molecular formula C14H11N5O2S and a molecular weight of 313.34 g/mol. Its IUPAC name is 10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one.

Molecular Properties

Compound Name10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one
PubChem CID15085566
Molecular FormulaC14H11N5O2S
Molecular Weight313.34 g/mol
Exact Mass313.06
IUPAC Name10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one
SMILESCn1c(=O)c2ccsc2n2cnc(-c3noc(C4CC4)n3)c12
InChIInChI=1S/C14H11N5O2S/c1-18-12-9(10-16-11(21-17-10)7-2-3-7)15-6-19(12)14-8(13(18)20)4-5-22-14/h4-7H,2-3H2,1H3
InChIKeyWKVTXYRWJXPGPH-UHFFFAOYSA-N
XLogP2.18
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-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 10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one?
The IUPAC name of 10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one (CID 15085566) is 10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one.
What is the SMILES notation for 10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one?
The canonical SMILES for 10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one is Cn1c(=O)c2ccsc2n2cnc(-c3noc(C4CC4)n3)c12.
What is the InChIKey of 10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one?
The InChIKey is WKVTXYRWJXPGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2S/c1-18-12-9(10-16-11(21-17-10)7-2-3-7)15-6-19(12)14-8(13(18)20)4-5-22-14/h4-7H,2-3H2,1H3.
What are the key properties of 10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one?
10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one has a molecular weight of 313.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one is sourced from PubChem (CID 15085566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).