5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one

C10H12N4OS — CID 22401672

IUPAC5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one
SMILESCCCn1cc2c(=O)n3c(nc2n1)SCC3
InChIInChI=1S/C10H12N4OS/c1-2-3-13-6-7-8(12-13)11-10-14(9(7)15)4-5-16-10/h6H,2-5H2,1H3
InChIKeyFIGSYHPMVPENOS-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.11
Rot. Bonds2

About 5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one

5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one (PubChem CID 22401672) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one.

Molecular Properties

Compound Name5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one
PubChem CID22401672
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one
SMILESCCCn1cc2c(=O)n3c(nc2n1)SCC3
InChIInChI=1S/C10H12N4OS/c1-2-3-13-6-7-8(12-13)11-10-14(9(7)15)4-5-16-10/h6H,2-5H2,1H3
InChIKeyFIGSYHPMVPENOS-UHFFFAOYSA-N
XLogP1.11
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one with MolForge

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Related Compounds

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CID 219764
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CID 609734
6-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135517186
Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 1,6-dimethyl-
CID 3073768
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 31849309
N,N-diethyl-2-((1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135752807
1,1'-(1,3-propanediyl)bis(5-ethyl-6-methylthio-4,5-dihydro-1H-pyrazolo(3,4-d)pyrimidin-4-one)
CID 90696150
6,7-Dihydro-2-methylpyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4(2H)-one
CID 610342
1,5,6-Trimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 335483
1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 44058965
1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-propyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 44058994
6,7-Dihydro-1-methylpyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4(1H)-one
CID 10198195

Frequently Asked Questions

What is the IUPAC name of 5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one?
The IUPAC name of 5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one (CID 22401672) is 5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one.
What is the SMILES notation for 5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one?
The canonical SMILES for 5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one is CCCn1cc2c(=O)n3c(nc2n1)SCC3.
What is the InChIKey of 5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one?
The InChIKey is FIGSYHPMVPENOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-2-3-13-6-7-8(12-13)11-10-14(9(7)15)4-5-16-10/h6H,2-5H2,1H3.
What are the key properties of 5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one?
5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one has a molecular weight of 236.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one is sourced from PubChem (CID 22401672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).