6-ethyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

C12H17N3 — CID 935663

IUPAC6-ethyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCCn1c(C)c2c(C)nnc(C)c2c1C
InChIInChI=1S/C12H17N3/c1-6-15-9(4)11-7(2)13-14-8(3)12(11)10(15)5/h6H2,1-5H3
InChIKeyDSTJBYQGEIJZEE-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.68
Rot. Bonds1

About 6-ethyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

6-ethyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (PubChem CID 935663) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-ethyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-ethyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
PubChem CID935663
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name6-ethyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCCn1c(C)c2c(C)nnc(C)c2c1C
InChIInChI=1S/C12H17N3/c1-6-15-9(4)11-7(2)13-14-8(3)12(11)10(15)5/h6H2,1-5H3
InChIKeyDSTJBYQGEIJZEE-UHFFFAOYSA-N
XLogP2.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-ethyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (CID 935663) is 6-ethyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-ethyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-ethyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is CCn1c(C)c2c(C)nnc(C)c2c1C.
What is the InChIKey of 6-ethyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The InChIKey is DSTJBYQGEIJZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-6-15-9(4)11-7(2)13-14-8(3)12(11)10(15)5/h6H2,1-5H3.
What are the key properties of 6-ethyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
6-ethyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine has a molecular weight of 203.29 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 935663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).