3-(2,2-dimethylpropyl)-5H-pyrrolo[3,2-c]pyridazine

C11H15N3 — CID 129213499

IUPAC3-(2,2-dimethylpropyl)-5H-pyrrolo[3,2-c]pyridazine
SMILESCC(C)(C)Cc1cc2[nH]ccc2nn1
InChIInChI=1S/C11H15N3/c1-11(2,3)7-8-6-10-9(14-13-8)4-5-12-10/h4-6,12H,7H2,1-3H3
InChIKeyAAARZLZHGDSSAX-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.55
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-5H-pyrrolo[3,2-c]pyridazine

3-(2,2-dimethylpropyl)-5H-pyrrolo[3,2-c]pyridazine (PubChem CID 129213499) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-5H-pyrrolo[3,2-c]pyridazine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-5H-pyrrolo[3,2-c]pyridazine
PubChem CID129213499
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-(2,2-dimethylpropyl)-5H-pyrrolo[3,2-c]pyridazine
SMILESCC(C)(C)Cc1cc2[nH]ccc2nn1
InChIInChI=1S/C11H15N3/c1-11(2,3)7-8-6-10-9(14-13-8)4-5-12-10/h4-6,12H,7H2,1-3H3
InChIKeyAAARZLZHGDSSAX-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-5H-pyrrolo[3,2-c]pyridazine?
The IUPAC name of 3-(2,2-dimethylpropyl)-5H-pyrrolo[3,2-c]pyridazine (CID 129213499) is 3-(2,2-dimethylpropyl)-5H-pyrrolo[3,2-c]pyridazine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-5H-pyrrolo[3,2-c]pyridazine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-5H-pyrrolo[3,2-c]pyridazine is CC(C)(C)Cc1cc2[nH]ccc2nn1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-5H-pyrrolo[3,2-c]pyridazine?
The InChIKey is AAARZLZHGDSSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-11(2,3)7-8-6-10-9(14-13-8)4-5-12-10/h4-6,12H,7H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-5H-pyrrolo[3,2-c]pyridazine?
3-(2,2-dimethylpropyl)-5H-pyrrolo[3,2-c]pyridazine has a molecular weight of 189.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-5H-pyrrolo[3,2-c]pyridazine is sourced from PubChem (CID 129213499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).