2,4,5,6-tetramethyl-3-propan-2-ylpyrazolo[1,5-b]pyridazine

C13H19N3 — CID 149065434

IUPAC2,4,5,6-tetramethyl-3-propan-2-ylpyrazolo[1,5-b]pyridazine
SMILESCc1nn2nc(C)c(C(C)C)c2c(C)c1C
InChIInChI=1S/C13H19N3/c1-7(2)12-11(6)15-16-13(12)9(4)8(3)10(5)14-16/h7H,1-6H3
InChIKeyQMQYRZCXOODPRU-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.09
Rot. Bonds1

About 2,4,5,6-tetramethyl-3-propan-2-ylpyrazolo[1,5-b]pyridazine

2,4,5,6-tetramethyl-3-propan-2-ylpyrazolo[1,5-b]pyridazine (PubChem CID 149065434) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2,4,5,6-tetramethyl-3-propan-2-ylpyrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name2,4,5,6-tetramethyl-3-propan-2-ylpyrazolo[1,5-b]pyridazine
PubChem CID149065434
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2,4,5,6-tetramethyl-3-propan-2-ylpyrazolo[1,5-b]pyridazine
SMILESCc1nn2nc(C)c(C(C)C)c2c(C)c1C
InChIInChI=1S/C13H19N3/c1-7(2)12-11(6)15-16-13(12)9(4)8(3)10(5)14-16/h7H,1-6H3
InChIKeyQMQYRZCXOODPRU-UHFFFAOYSA-N
XLogP3.09
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5,7-tetramethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 157107180
1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole
CID 126752699
2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine
CID 58164622
2,3,5-trimethyl-4,6-di(propan-2-yl)pyridine
CID 58935885
3,6-dimethyl-4,5-di(propan-2-yl)pyridazine
CID 148912729
6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one
CID 15054348
2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 170442026
1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene
CID 13359400
2,3,4,5-tetramethyl-6-propan-2-ylpyridine
CID 21340844
2,3,4,5,6,7-hexamethyl-8-propan-2-ylquinoline
CID 157183613
2-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)-1,1-dimethylhydrazine
CID 123291204
methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine
CID 164992574

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetramethyl-3-propan-2-ylpyrazolo[1,5-b]pyridazine?
The IUPAC name of 2,4,5,6-tetramethyl-3-propan-2-ylpyrazolo[1,5-b]pyridazine (CID 149065434) is 2,4,5,6-tetramethyl-3-propan-2-ylpyrazolo[1,5-b]pyridazine.
What is the SMILES notation for 2,4,5,6-tetramethyl-3-propan-2-ylpyrazolo[1,5-b]pyridazine?
The canonical SMILES for 2,4,5,6-tetramethyl-3-propan-2-ylpyrazolo[1,5-b]pyridazine is Cc1nn2nc(C)c(C(C)C)c2c(C)c1C.
What is the InChIKey of 2,4,5,6-tetramethyl-3-propan-2-ylpyrazolo[1,5-b]pyridazine?
The InChIKey is QMQYRZCXOODPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-7(2)12-11(6)15-16-13(12)9(4)8(3)10(5)14-16/h7H,1-6H3.
What are the key properties of 2,4,5,6-tetramethyl-3-propan-2-ylpyrazolo[1,5-b]pyridazine?
2,4,5,6-tetramethyl-3-propan-2-ylpyrazolo[1,5-b]pyridazine has a molecular weight of 217.32 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetramethyl-3-propan-2-ylpyrazolo[1,5-b]pyridazine is sourced from PubChem (CID 149065434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).