1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine

C13H20N2O — CID 91038228

IUPAC1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine
SMILESCC(C)Cc1nnc(C(C)C)c2c1COC2
InChIInChI=1S/C13H20N2O/c1-8(2)5-12-10-6-16-7-11(10)13(9(3)4)15-14-12/h8-9H,5-7H2,1-4H3
InChIKeyZBLQYEFQDKTWND-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.83
Rot. Bonds3

About 1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine

1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine (PubChem CID 91038228) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine
PubChem CID91038228
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine
SMILESCC(C)Cc1nnc(C(C)C)c2c1COC2
InChIInChI=1S/C13H20N2O/c1-8(2)5-12-10-6-16-7-11(10)13(9(3)4)15-14-12/h8-9H,5-7H2,1-4H3
InChIKeyZBLQYEFQDKTWND-UHFFFAOYSA-N
XLogP2.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine?
The IUPAC name of 1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine (CID 91038228) is 1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine.
What is the SMILES notation for 1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine?
The canonical SMILES for 1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine is CC(C)Cc1nnc(C(C)C)c2c1COC2.
What is the InChIKey of 1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine?
The InChIKey is ZBLQYEFQDKTWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8(2)5-12-10-6-16-7-11(10)13(9(3)4)15-14-12/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine?
1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine has a molecular weight of 220.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine is sourced from PubChem (CID 91038228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).