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

C11H15N3 — CID 703107

IUPAC1,4,5,6,7-pentamethylpyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)n(C)c(C)c12
InChIInChI=1S/C11H15N3/c1-6-10-8(3)14(5)9(4)11(10)7(2)13-12-6/h1-5H3
InChIKeyVGSSIEKJSPDOQS-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.20
Rot. Bonds

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

1,4,5,6,7-pentamethylpyrrolo[3,4-d]pyridazine (PubChem CID 703107) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1,4,5,6,7-pentamethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4,5,6,7-pentamethylpyrrolo[3,4-d]pyridazine
PubChem CID703107
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1,4,5,6,7-pentamethylpyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)n(C)c(C)c12
InChIInChI=1S/C11H15N3/c1-6-10-8(3)14(5)9(4)11(10)7(2)13-12-6/h1-5H3
InChIKeyVGSSIEKJSPDOQS-UHFFFAOYSA-N
XLogP2.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6,7-pentamethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 1,4,5,6,7-pentamethylpyrrolo[3,4-d]pyridazine (CID 703107) is 1,4,5,6,7-pentamethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 1,4,5,6,7-pentamethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 1,4,5,6,7-pentamethylpyrrolo[3,4-d]pyridazine is Cc1nnc(C)c2c(C)n(C)c(C)c12.
What is the InChIKey of 1,4,5,6,7-pentamethylpyrrolo[3,4-d]pyridazine?
The InChIKey is VGSSIEKJSPDOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-6-10-8(3)14(5)9(4)11(10)7(2)13-12-6/h1-5H3.
What are the key properties of 1,4,5,6,7-pentamethylpyrrolo[3,4-d]pyridazine?
1,4,5,6,7-pentamethylpyrrolo[3,4-d]pyridazine has a molecular weight of 189.26 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6,7-pentamethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 703107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).