2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

C9H10N4S — CID 1234197

IUPAC2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
SMILESCSc1c2c(nc3ncnn13)CCC2
InChIInChI=1S/C9H10N4S/c1-14-8-6-3-2-4-7(6)12-9-10-5-11-13(8)9/h5H,2-4H2,1H3
InChIKeyOZVSYHDHHTXSOC-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.33
Rot. Bonds1

About 2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene (PubChem CID 1234197) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene.

Molecular Properties

Compound Name2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
PubChem CID1234197
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
SMILESCSc1c2c(nc3ncnn13)CCC2
InChIInChI=1S/C9H10N4S/c1-14-8-6-3-2-4-7(6)12-9-10-5-11-13(8)9/h5H,2-4H2,1H3
InChIKeyOZVSYHDHHTXSOC-UHFFFAOYSA-N
XLogP1.33
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene with MolForge

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Related Compounds

7-Methyl-3-thia-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671277
6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine
CID 8741413
N,N-dimethyl-2-[5-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylsulfanyl)tetrazol-1-yl]ethanamine;hydrochloride
CID 171346769
5-Methylsulfanyl-7,8-dihydro-6h-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
CID 14472408
N-ethyl-N-propyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 46094592
2-(6-Ethyl-5-fluoropyrimidin-4-yl)sulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 86814385
N,N-dimethyl-2-[5-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylsulfanyl)tetrazol-1-yl]ethanamine
CID 147014762
N,N-diethyl-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine
CID 1234196
5-[(6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 22434223
6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl 4H-1,2,4-triazol-3-yl sulfide
CID 2814596
2,9-Bis(methylsulfanyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 10754250
2-Chloro-11-propan-2-ylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 11173231

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The IUPAC name of 2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene (CID 1234197) is 2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene.
What is the SMILES notation for 2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The canonical SMILES for 2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene is CSc1c2c(nc3ncnn13)CCC2.
What is the InChIKey of 2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The InChIKey is OZVSYHDHHTXSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-14-8-6-3-2-4-7(6)12-9-10-5-11-13(8)9/h5H,2-4H2,1H3.
What are the key properties of 2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene has a molecular weight of 206.27 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene is sourced from PubChem (CID 1234197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).