ethane;pyrazolo[1,5-b]pyridazine

C8H11N3 — CID 91011674

IUPACethane;pyrazolo[1,5-b]pyridazine
SMILESCC.c1cnn2nccc2c1
InChIInChI=1S/C6H5N3.C2H6/c1-2-6-3-5-8-9(6)7-4-1;1-2/h1-5H;1-2H3
InChIKeyNZNDKMOFPOJKFZ-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.76
Rot. Bonds

About ethane;pyrazolo[1,5-b]pyridazine

ethane;pyrazolo[1,5-b]pyridazine (PubChem CID 91011674) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is ethane;pyrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Nameethane;pyrazolo[1,5-b]pyridazine
PubChem CID91011674
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Nameethane;pyrazolo[1,5-b]pyridazine
SMILESCC.c1cnn2nccc2c1
InChIInChI=1S/C6H5N3.C2H6/c1-2-6-3-5-8-9(6)7-4-1;1-2/h1-5H;1-2H3
InChIKeyNZNDKMOFPOJKFZ-UHFFFAOYSA-N
XLogP1.76
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;pyrazolo[1,5-b]pyridazine?
The IUPAC name of ethane;pyrazolo[1,5-b]pyridazine (CID 91011674) is ethane;pyrazolo[1,5-b]pyridazine.
What is the SMILES notation for ethane;pyrazolo[1,5-b]pyridazine?
The canonical SMILES for ethane;pyrazolo[1,5-b]pyridazine is CC.c1cnn2nccc2c1.
What is the InChIKey of ethane;pyrazolo[1,5-b]pyridazine?
The InChIKey is NZNDKMOFPOJKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.C2H6/c1-2-6-3-5-8-9(6)7-4-1;1-2/h1-5H;1-2H3.
What are the key properties of ethane;pyrazolo[1,5-b]pyridazine?
ethane;pyrazolo[1,5-b]pyridazine has a molecular weight of 149.20 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyrazolo[1,5-b]pyridazine is sourced from PubChem (CID 91011674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).