11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one

C12H11N5O2S — CID 135692645

IUPAC11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
SMILESO=c1[nH]cnc2c1sc1nc(N3CCOCC3)ncc12
InChIInChI=1S/C12H11N5O2S/c18-10-9-8(14-6-15-10)7-5-13-12(16-11(7)20-9)17-1-3-19-4-2-17/h5-6H,1-4H2,(H,14,15,18)
InChIKeyAQPKPYRALPJGTJ-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.76
Rot. Bonds1

About 11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one

11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one (PubChem CID 135692645) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one.

Molecular Properties

Compound Name11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
PubChem CID135692645
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
SMILESO=c1[nH]cnc2c1sc1nc(N3CCOCC3)ncc12
InChIInChI=1S/C12H11N5O2S/c18-10-9-8(14-6-15-10)7-5-13-12(16-11(7)20-9)17-1-3-19-4-2-17/h5-6H,1-4H2,(H,14,15,18)
InChIKeyAQPKPYRALPJGTJ-UHFFFAOYSA-N
XLogP0.76
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one with MolForge

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Related Compounds

2-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 154396001
2-morpholin-4-yl-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one
CID 151380266
(4S)-4-ethyl-4-methyl-8-morpholin-4-yl-5-oxa-11-thia-14,16-diaza-9-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one
CID 135831161
5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one
CID 66490356
5,6,8-trideuterio-7-morpholin-4-yl-3H-quinazolin-4-one
CID 137002409
8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137053176
8-hydroxy-6-(morpholine-4-carbonyl)-3H-quinazolin-4-one
CID 136608339
4-(6-methylquinazolin-2-yl)morpholine
CID 146428087
2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 20867039
(4-chloro-2-morpholin-4-ylpyrimidin-5-yl)-trimethylsilane
CID 132918077
2-morpholin-4-ylfuro[2,3-d]pyrimidine
CID 154261054
(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid
CID 130120199

Frequently Asked Questions

What is the IUPAC name of 11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one?
The IUPAC name of 11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one (CID 135692645) is 11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one.
What is the SMILES notation for 11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one?
The canonical SMILES for 11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one is O=c1[nH]cnc2c1sc1nc(N3CCOCC3)ncc12.
What is the InChIKey of 11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one?
The InChIKey is AQPKPYRALPJGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c18-10-9-8(14-6-15-10)7-5-13-12(16-11(7)20-9)17-1-3-19-4-2-17/h5-6H,1-4H2,(H,14,15,18).
What are the key properties of 11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one?
11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one has a molecular weight of 289.32 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-morpholin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one is sourced from PubChem (CID 135692645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).