6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine

C8H8N4S — CID 96624150

IUPAC6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine
SMILESc1nc2nsnc2c2c1CNCC2
InChIInChI=1S/C8H8N4S/c1-2-9-3-5-4-10-8-7(6(1)5)11-13-12-8/h4,9H,1-3H2
InChIKeyKFZZMDQRWXRWQQ-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.73
Rot. Bonds

About 6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine

6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine (PubChem CID 96624150) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine
PubChem CID96624150
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine
SMILESc1nc2nsnc2c2c1CNCC2
InChIInChI=1S/C8H8N4S/c1-2-9-3-5-4-10-8-7(6(1)5)11-13-12-8/h4,9H,1-3H2
InChIKeyKFZZMDQRWXRWQQ-UHFFFAOYSA-N
XLogP0.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine?
The IUPAC name of 6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine (CID 96624150) is 6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine.
What is the SMILES notation for 6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine?
The canonical SMILES for 6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine is c1nc2nsnc2c2c1CNCC2.
What is the InChIKey of 6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine?
The InChIKey is KFZZMDQRWXRWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-2-9-3-5-4-10-8-7(6(1)5)11-13-12-8/h4,9H,1-3H2.
What are the key properties of 6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine?
6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine has a molecular weight of 192.25 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine is sourced from PubChem (CID 96624150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).