3,3-dimethyl-8-propan-2-ylpyridazino[4,5-e][1,3,4]thiadiazine

C10H14N4S — CID 156710886

IUPAC3,3-dimethyl-8-propan-2-ylpyridazino[4,5-e][1,3,4]thiadiazine
SMILESCC(C)c1nncc2c1N=NC(C)(C)S2
InChIInChI=1S/C10H14N4S/c1-6(2)8-9-7(5-11-12-8)15-10(3,4)14-13-9/h5-6H,1-4H3
InChIKeyAXIIKZOJUKCAEU-UHFFFAOYSA-N
MW222.32 g/mol
LogP3.53
Rot. Bonds1

About 3,3-dimethyl-8-propan-2-ylpyridazino[4,5-e][1,3,4]thiadiazine

3,3-dimethyl-8-propan-2-ylpyridazino[4,5-e][1,3,4]thiadiazine (PubChem CID 156710886) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 3,3-dimethyl-8-propan-2-ylpyridazino[4,5-e][1,3,4]thiadiazine.

Molecular Properties

Compound Name3,3-dimethyl-8-propan-2-ylpyridazino[4,5-e][1,3,4]thiadiazine
PubChem CID156710886
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name3,3-dimethyl-8-propan-2-ylpyridazino[4,5-e][1,3,4]thiadiazine
SMILESCC(C)c1nncc2c1N=NC(C)(C)S2
InChIInChI=1S/C10H14N4S/c1-6(2)8-9-7(5-11-12-8)15-10(3,4)14-13-9/h5-6H,1-4H3
InChIKeyAXIIKZOJUKCAEU-UHFFFAOYSA-N
XLogP3.53
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine
CID 59224821
4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
CID 122697307
4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol
CID 130250972
4-bromo-5-cyclopropyl-3-propan-2-ylpyridazine
CID 153298582
3,5-di(propan-2-yl)pyridazine
CID 21037378
5-methyl-6-propan-2-yl-1,2,4-triazine
CID 89392083
2,3-di(propan-2-yl)pyrazino[2,3-d]pyridazine
CID 90442279
1,4-di(propan-2-yl)thieno[3,4-d]pyridazine
CID 177071250
3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane
CID 157399663
5-chloro-6-propan-2-yl-1,2,4-triazine
CID 116822816
3-bromo-5-propan-2-yl-1,2,4-triazine
CID 105454049
ethane;5-methyl-3-propan-2-ylpyridazine
CID 144528094

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8-propan-2-ylpyridazino[4,5-e][1,3,4]thiadiazine?
The IUPAC name of 3,3-dimethyl-8-propan-2-ylpyridazino[4,5-e][1,3,4]thiadiazine (CID 156710886) is 3,3-dimethyl-8-propan-2-ylpyridazino[4,5-e][1,3,4]thiadiazine.
What is the SMILES notation for 3,3-dimethyl-8-propan-2-ylpyridazino[4,5-e][1,3,4]thiadiazine?
The canonical SMILES for 3,3-dimethyl-8-propan-2-ylpyridazino[4,5-e][1,3,4]thiadiazine is CC(C)c1nncc2c1N=NC(C)(C)S2.
What is the InChIKey of 3,3-dimethyl-8-propan-2-ylpyridazino[4,5-e][1,3,4]thiadiazine?
The InChIKey is AXIIKZOJUKCAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-6(2)8-9-7(5-11-12-8)15-10(3,4)14-13-9/h5-6H,1-4H3.
What are the key properties of 3,3-dimethyl-8-propan-2-ylpyridazino[4,5-e][1,3,4]thiadiazine?
3,3-dimethyl-8-propan-2-ylpyridazino[4,5-e][1,3,4]thiadiazine has a molecular weight of 222.32 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-propan-2-ylpyridazino[4,5-e][1,3,4]thiadiazine is sourced from PubChem (CID 156710886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).