12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene

C10H7N3S — CID 139620538

IUPAC12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene
SMILESC1=Cc2ncn3ccnc3c2C=CS1
InChIInChI=1S/C10H7N3S/c1-5-14-6-2-9-8(1)10-11-3-4-13(10)7-12-9/h1-7H
InChIKeySXWHIWCUCGXEAH-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.42
Rot. Bonds

About 12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene

12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene (PubChem CID 139620538) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene.

Molecular Properties

Compound Name12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene
PubChem CID139620538
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene
SMILESC1=Cc2ncn3ccnc3c2C=CS1
InChIInChI=1S/C10H7N3S/c1-5-14-6-2-9-8(1)10-11-3-4-13(10)7-12-9/h1-7H
InChIKeySXWHIWCUCGXEAH-UHFFFAOYSA-N
XLogP2.42
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene with MolForge

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Related Compounds

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imidazo[1,2-c]pyrimidine-8-thiol
CID 155755374
8-fluoroimidazo[1,2-c]pyrimidine
CID 67486651
3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene
CID 45088536
1-imidazo[1,2-a]pyrazin-8-ylethanone
CID 59802586
imidazo[1,2-a]pyridin-8-amine;hydrochloride
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imidazo[1,2-a]pyrazine-8-carbohydrazide
CID 124907820
N-methylimidazo[1,2-a]pyrazine-8-carboxamide
CID 130605342
imidazo[1,2-a]pyrazine-6,8-diamine
CID 80796979
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CID 46835270

Frequently Asked Questions

What is the IUPAC name of 12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene?
The IUPAC name of 12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene (CID 139620538) is 12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene.
What is the SMILES notation for 12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene?
The canonical SMILES for 12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene is C1=Cc2ncn3ccnc3c2C=CS1.
What is the InChIKey of 12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene?
The InChIKey is SXWHIWCUCGXEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c1-5-14-6-2-9-8(1)10-11-3-4-13(10)7-12-9/h1-7H.
What are the key properties of 12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene?
12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene has a molecular weight of 201.25 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-thia-3,6,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7,10,13-hexaene is sourced from PubChem (CID 139620538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).