8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene

C11H13ClN4S — CID 11184756

IUPAC8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
SMILESCSc1nc2nc3c(c(Cl)n2n1)CCCCC3
InChIInChI=1S/C11H13ClN4S/c1-17-11-14-10-13-8-6-4-2-3-5-7(8)9(12)16(10)15-11/h2-6H2,1H3
InChIKeyAHAPQYBDBARNLA-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.77
Rot. Bonds1

About 8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene

8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene (PubChem CID 11184756) has the molecular formula C11H13ClN4S and a molecular weight of 268.77 g/mol. Its IUPAC name is 8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene.

Molecular Properties

Compound Name8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
PubChem CID11184756
Molecular FormulaC11H13ClN4S
Molecular Weight268.77 g/mol
Exact Mass268.05
IUPAC Name8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
SMILESCSc1nc2nc3c(c(Cl)n2n1)CCCCC3
InChIInChI=1S/C11H13ClN4S/c1-17-11-14-10-13-8-6-4-2-3-5-7(8)9(12)16(10)15-11/h2-6H2,1H3
InChIKeyAHAPQYBDBARNLA-UHFFFAOYSA-N
XLogP2.77
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 15438363
2-chloro-11-(4-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82269902
5,5,9-trideuterio-2-methylsulfanyl-7,8-dihydro-6H-[1,2,4]triazolo[5,1-b]quinazoline
CID 10656720
2-methylsulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-4-carboxylic acid
CID 83871693
2-chloro-11-(3-fluorophenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 18524600
2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82274855
2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid
CID 83871549
2-chloro-11-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82269894
2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 12023099
9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 82274820
2-methylsulfanyl-4-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 10492878
2-chloro-10-(2-fluorophenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82274863

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The IUPAC name of 8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene (CID 11184756) is 8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene.
What is the SMILES notation for 8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The canonical SMILES for 8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene is CSc1nc2nc3c(c(Cl)n2n1)CCCCC3.
What is the InChIKey of 8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The InChIKey is AHAPQYBDBARNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S/c1-17-11-14-10-13-8-6-4-2-3-5-7(8)9(12)16(10)15-11/h2-6H2,1H3.
What are the key properties of 8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene has a molecular weight of 268.77 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene is sourced from PubChem (CID 11184756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).