12-chloro-4-methyl-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene

C10H10ClN3S — CID 166128201

IUPAC12-chloro-4-methyl-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene
SMILESCN1CCc2sc3nnc(Cl)cc3c2C1
InChIInChI=1S/C10H10ClN3S/c1-14-3-2-8-7(5-14)6-4-9(11)12-13-10(6)15-8/h4H,2-3,5H2,1H3
InChIKeyFDWJPSHYDAZMFB-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.33
Rot. Bonds

About 12-chloro-4-methyl-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene

12-chloro-4-methyl-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene (PubChem CID 166128201) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 12-chloro-4-methyl-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene.

Molecular Properties

Compound Name12-chloro-4-methyl-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene
PubChem CID166128201
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name12-chloro-4-methyl-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene
SMILESCN1CCc2sc3nnc(Cl)cc3c2C1
InChIInChI=1S/C10H10ClN3S/c1-14-3-2-8-7(5-14)6-4-9(11)12-13-10(6)15-8/h4H,2-3,5H2,1H3
InChIKeyFDWJPSHYDAZMFB-UHFFFAOYSA-N
XLogP2.33
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Chlorothieno[2,3-c]pyridazin-6-yl)ethanamine
CID 166128008
Tert-butyl 12-chloro-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4-carboxylate
CID 166128025
Tert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate
CID 166128086
12-Chloro-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene
CID 166128099
4-(3-Chloro-5-methylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile
CID 166128175
3,6-Dichloro-5-cyclopropylthieno[2,3-c]pyridazine
CID 170349987
3-Chloro-5-methylthieno[2,3-c]pyridazin-6-amine
CID 170350002
3-Chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine
CID 170350052
3-Chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine
CID 170350072
3,6-Dichloro-5-methylthieno[2,3-c]pyridazine
CID 170350232
6-Chloro-3,5-dimethylthieno[2,3-c]pyridazine
CID 170581705
3-Chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine
CID 170581905

Frequently Asked Questions

What is the IUPAC name of 12-chloro-4-methyl-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene?
The IUPAC name of 12-chloro-4-methyl-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene (CID 166128201) is 12-chloro-4-methyl-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene.
What is the SMILES notation for 12-chloro-4-methyl-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene?
The canonical SMILES for 12-chloro-4-methyl-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene is CN1CCc2sc3nnc(Cl)cc3c2C1.
What is the InChIKey of 12-chloro-4-methyl-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene?
The InChIKey is FDWJPSHYDAZMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-14-3-2-8-7(5-14)6-4-9(11)12-13-10(6)15-8/h4H,2-3,5H2,1H3.
What are the key properties of 12-chloro-4-methyl-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene?
12-chloro-4-methyl-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene has a molecular weight of 239.73 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-chloro-4-methyl-8-thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene is sourced from PubChem (CID 166128201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).