ethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine

C9H14N2O — CID 145497461

IUPACethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine
SMILESCC.Cc1cc2c(nn1)OCC2
InChIInChI=1S/C7H8N2O.C2H6/c1-5-4-6-2-3-10-7(6)9-8-5;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyPHCWRDLIKCELAE-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.75
Rot. Bonds

About ethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine

ethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine (PubChem CID 145497461) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is ethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine.

Molecular Properties

Compound Nameethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine
PubChem CID145497461
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Nameethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine
SMILESCC.Cc1cc2c(nn1)OCC2
InChIInChI=1S/C7H8N2O.C2H6/c1-5-4-6-2-3-10-7(6)9-8-5;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyPHCWRDLIKCELAE-UHFFFAOYSA-N
XLogP1.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine?
The IUPAC name of ethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine (CID 145497461) is ethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine.
What is the SMILES notation for ethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine?
The canonical SMILES for ethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine is CC.Cc1cc2c(nn1)OCC2.
What is the InChIKey of ethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine?
The InChIKey is PHCWRDLIKCELAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C2H6/c1-5-4-6-2-3-10-7(6)9-8-5;1-2/h4H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine?
ethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine has a molecular weight of 166.22 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine is sourced from PubChem (CID 145497461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).