1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine

C10H13N3 — CID 5292813

IUPAC1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)[nH]c(C)c12
InChIInChI=1S/C10H13N3/c1-5-9-7(3)12-13-8(4)10(9)6(2)11-5/h11H,1-4H3
InChIKeyNXUVOVYSWCEJGN-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.19
Rot. Bonds

About 1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine

1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine (PubChem CID 5292813) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
PubChem CID5292813
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)[nH]c(C)c12
InChIInChI=1S/C10H13N3/c1-5-9-7(3)12-13-8(4)10(9)6(2)11-5/h11H,1-4H3
InChIKeyNXUVOVYSWCEJGN-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine?
The IUPAC name of 1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine (CID 5292813) is 1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine?
The canonical SMILES for 1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine is Cc1nnc(C)c2c(C)[nH]c(C)c12.
What is the InChIKey of 1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine?
The InChIKey is NXUVOVYSWCEJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-5-9-7(3)12-13-8(4)10(9)6(2)11-5/h11H,1-4H3.
What are the key properties of 1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine?
1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine has a molecular weight of 175.23 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 5292813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).