8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

C15H13N5S — CID 73334611

IUPAC8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCc1ncccc1-c1nc(C)c2c(C)nc3scnc3n12
InChIInChI=1S/C15H13N5S/c1-8-11(5-4-6-16-8)13-18-9(2)12-10(3)19-15-14(20(12)13)17-7-21-15/h4-7H,1-3H3
InChIKeyXHLYFHVQEGXZIF-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.33
Rot. Bonds1

About 8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (PubChem CID 73334611) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is 8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.

Molecular Properties

Compound Name8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
PubChem CID73334611
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCc1ncccc1-c1nc(C)c2c(C)nc3scnc3n12
InChIInChI=1S/C15H13N5S/c1-8-11(5-4-6-16-8)13-18-9(2)12-10(3)19-15-14(20(12)13)17-7-21-15/h4-7H,1-3H3
InChIKeyXHLYFHVQEGXZIF-UHFFFAOYSA-N
XLogP3.33
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The IUPAC name of 8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (CID 73334611) is 8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.
What is the SMILES notation for 8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The canonical SMILES for 8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is Cc1ncccc1-c1nc(C)c2c(C)nc3scnc3n12.
What is the InChIKey of 8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The InChIKey is XHLYFHVQEGXZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S/c1-8-11(5-4-6-16-8)13-18-9(2)12-10(3)19-15-14(20(12)13)17-7-21-15/h4-7H,1-3H3.
What are the key properties of 8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene has a molecular weight of 295.37 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is sourced from PubChem (CID 73334611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).