3,7,7-trimethyl-5,8-dihydropyrano[4,3-c]pyridazine

C10H14N2O — CID 56690619

IUPAC3,7,7-trimethyl-5,8-dihydropyrano[4,3-c]pyridazine
SMILESCc1cc2c(nn1)CC(C)(C)OC2
InChIInChI=1S/C10H14N2O/c1-7-4-8-6-13-10(2,3)5-9(8)12-11-7/h4H,5-6H2,1-3H3
InChIKeyFOVGYMFSUNNRGZ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.64
Rot. Bonds

About 3,7,7-trimethyl-5,8-dihydropyrano[4,3-c]pyridazine

3,7,7-trimethyl-5,8-dihydropyrano[4,3-c]pyridazine (PubChem CID 56690619) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3,7,7-trimethyl-5,8-dihydropyrano[4,3-c]pyridazine.

Molecular Properties

Compound Name3,7,7-trimethyl-5,8-dihydropyrano[4,3-c]pyridazine
PubChem CID56690619
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3,7,7-trimethyl-5,8-dihydropyrano[4,3-c]pyridazine
SMILESCc1cc2c(nn1)CC(C)(C)OC2
InChIInChI=1S/C10H14N2O/c1-7-4-8-6-13-10(2,3)5-9(8)12-11-7/h4H,5-6H2,1-3H3
InChIKeyFOVGYMFSUNNRGZ-UHFFFAOYSA-N
XLogP1.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7,7-trimethyl-5,8-dihydropyrano[4,3-c]pyridazine?
The IUPAC name of 3,7,7-trimethyl-5,8-dihydropyrano[4,3-c]pyridazine (CID 56690619) is 3,7,7-trimethyl-5,8-dihydropyrano[4,3-c]pyridazine.
What is the SMILES notation for 3,7,7-trimethyl-5,8-dihydropyrano[4,3-c]pyridazine?
The canonical SMILES for 3,7,7-trimethyl-5,8-dihydropyrano[4,3-c]pyridazine is Cc1cc2c(nn1)CC(C)(C)OC2.
What is the InChIKey of 3,7,7-trimethyl-5,8-dihydropyrano[4,3-c]pyridazine?
The InChIKey is FOVGYMFSUNNRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-4-8-6-13-10(2,3)5-9(8)12-11-7/h4H,5-6H2,1-3H3.
What are the key properties of 3,7,7-trimethyl-5,8-dihydropyrano[4,3-c]pyridazine?
3,7,7-trimethyl-5,8-dihydropyrano[4,3-c]pyridazine has a molecular weight of 178.23 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7-trimethyl-5,8-dihydropyrano[4,3-c]pyridazine is sourced from PubChem (CID 56690619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).