4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one

C10H9N3OS2 — CID 15212942

IUPAC4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
SMILESCc1nn2c(=O)c3c(C)c(C)sc3nc2s1
InChIInChI=1S/C10H9N3OS2/c1-4-5(2)15-8-7(4)9(14)13-10(11-8)16-6(3)12-13/h1-3H3
InChIKeyKPUWBMGWGRFNLN-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.29
Rot. Bonds

About 4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one

4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one (PubChem CID 15212942) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is 4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one.

Molecular Properties

Compound Name4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
PubChem CID15212942
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC Name4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
SMILESCc1nn2c(=O)c3c(C)c(C)sc3nc2s1
InChIInChI=1S/C10H9N3OS2/c1-4-5(2)15-8-7(4)9(14)13-10(11-8)16-6(3)12-13/h1-3H3
InChIKeyKPUWBMGWGRFNLN-UHFFFAOYSA-N
XLogP2.29
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one with MolForge

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Related Compounds

4H-Cyclopenta(4,5)thieno(2,3-d)pyrimidin-4-one, 3,5,6,7-tetrahydro-3-amino-2-methyl-
CID 211240
5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 403053
2,5,6-trimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 857577
N,N-dimethyl-N'-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)imidoformamide
CID 9632285
(4-Hydroxy-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid
CID 729499
3-Ethyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 800379
10H-(1)Benzothieno(2,3-d)(1,3,4)thiadiazolo(3,2-a)pyrimidin-10-one, 6,7,8,9-tetrahydro-2-methyl-
CID 10423642
2-Methyl-7,8,9,10-tetrahydro-3H,11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-11-one
CID 387514
2-[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide
CID 698664
Ethyl [(3-amino-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
CID 848950
13-Cyclopropyl-8,12-dithia-10,14,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one
CID 2349667
2,5,6-Trimethyl-3-prop-2-yn-1-ylthieno[2,3-d]pyrimidin-4(3H)-one
CID 46201189

Frequently Asked Questions

What is the IUPAC name of 4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one?
The IUPAC name of 4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one (CID 15212942) is 4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one.
What is the SMILES notation for 4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one?
The canonical SMILES for 4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one is Cc1nn2c(=O)c3c(C)c(C)sc3nc2s1.
What is the InChIKey of 4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one?
The InChIKey is KPUWBMGWGRFNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS2/c1-4-5(2)15-8-7(4)9(14)13-10(11-8)16-6(3)12-13/h1-3H3.
What are the key properties of 4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one?
4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one has a molecular weight of 251.34 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,11-trimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one is sourced from PubChem (CID 15212942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).