5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one

C10H12N4OS — CID 616790

IUPAC5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one
SMILESCn1cc2c(=O)n3c(nc2n1)SCCCC3
InChIInChI=1S/C10H12N4OS/c1-13-6-7-8(12-13)11-10-14(9(7)15)4-2-3-5-16-10/h6H,2-5H2,1H3
InChIKeyLCUCJDRCMWRPMR-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.02
Rot. Bonds

About 5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one

5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one (PubChem CID 616790) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one.

Molecular Properties

Compound Name5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one
PubChem CID616790
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one
SMILESCn1cc2c(=O)n3c(nc2n1)SCCCC3
InChIInChI=1S/C10H12N4OS/c1-13-6-7-8(12-13)11-10-14(9(7)15)4-2-3-5-16-10/h6H,2-5H2,1H3
InChIKeyLCUCJDRCMWRPMR-UHFFFAOYSA-N
XLogP1.02
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one with MolForge

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Related Compounds

Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 1-methyl-
CID 609734
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
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
6,7-Dihydro-1-methylpyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4(1H)-one
CID 10198195
2,5-Dihydro-2,5-dimethyl-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 10214412
2,5-Diethylpyrazolo[3,4-d]pyrimidin-4-one
CID 14188901
6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135503405
5-(cyclopropylmethyl)-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 137965340
6-(2,2,2-Trifluoroethyl)-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 15337427
5-(2,2,2-Trifluoroethyl)-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one
CID 15337428

Frequently Asked Questions

What is the IUPAC name of 5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one?
The IUPAC name of 5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one (CID 616790) is 5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one.
What is the SMILES notation for 5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one?
The canonical SMILES for 5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one is Cn1cc2c(=O)n3c(nc2n1)SCCCC3.
What is the InChIKey of 5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one?
The InChIKey is LCUCJDRCMWRPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-13-6-7-8(12-13)11-10-14(9(7)15)4-2-3-5-16-10/h6H,2-5H2,1H3.
What are the key properties of 5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one?
5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one has a molecular weight of 236.30 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.5.0.03,7]tetradeca-3,6,8-trien-2-one is sourced from PubChem (CID 616790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).