1,7-dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine

C13H20N4 — CID 170416228

IUPAC1,7-dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine
SMILESCc1nnc(C(C)C)c2c(C(C)C)nn(C)c12
InChIInChI=1S/C13H20N4/c1-7(2)11-10-12(8(3)4)16-17(6)13(10)9(5)14-15-11/h7-8H,1-6H3
InChIKeyDTTKUKFJUSLAQU-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.92
Rot. Bonds2

About 1,7-dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine

1,7-dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine (PubChem CID 170416228) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1,7-dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name1,7-dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine
PubChem CID170416228
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1,7-dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine
SMILESCc1nnc(C(C)C)c2c(C(C)C)nn(C)c12
InChIInChI=1S/C13H20N4/c1-7(2)11-10-12(8(3)4)16-17(6)13(10)9(5)14-15-11/h7-8H,1-6H3
InChIKeyDTTKUKFJUSLAQU-UHFFFAOYSA-N
XLogP2.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6,7-Tetramethyltriazolo[4,5-c]pyridine
CID 57711755
2,3,4,6,7-Pentamethylpyrazolo[1,5-a]pyrazine
CID 58351284
1,3-Ditert-butyl-4,5,7-trimethylpyrazolo[5,4-c]pyridine
CID 58816523
1,3-Dimethylpyrazolo[3,4-d]pyridazine
CID 59430807
1,4-Dimethylpyrazolo[3,4-d]pyridazine
CID 68345360
2,3,4,7-Tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine
CID 70847132
7-Butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine
CID 142348059
Ethane;1,3,6,7-tetramethylpyrazolo[4,5-c]pyridazine
CID 142348079
2,3,4-Trimethylpyrazolo[3,4-d]pyridazin-7-amine
CID 142486239
1,3-Dimethylpyrazolo[3,4-d]pyridazine;ethane
CID 144251659
1,7-Dimethylpyrazolo[3,4-d]pyridazine
CID 145769891
1-Cyclopropyl-7-methylpyrazolo[3,4-d]pyridazine
CID 145769894

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine?
The IUPAC name of 1,7-dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine (CID 170416228) is 1,7-dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 1,7-dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine?
The canonical SMILES for 1,7-dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine is Cc1nnc(C(C)C)c2c(C(C)C)nn(C)c12.
What is the InChIKey of 1,7-dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine?
The InChIKey is DTTKUKFJUSLAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-7(2)11-10-12(8(3)4)16-17(6)13(10)9(5)14-15-11/h7-8H,1-6H3.
What are the key properties of 1,7-dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine?
1,7-dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine has a molecular weight of 232.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 170416228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).