7,8-dihydro-6H-[1,4]dioxepino[2,3-c]pyridazine

C7H8N2O2 — CID 162357490

IUPAC7,8-dihydro-6H-[1,4]dioxepino[2,3-c]pyridazine
SMILESc1cc2c(nn1)OCCCO2
InChIInChI=1S/C7H8N2O2/c1-4-10-6-2-3-8-9-7(6)11-5-1/h2-3H,1,4-5H2
InChIKeyBQTVRHSGJQMGKV-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.64
Rot. Bonds

About 7,8-dihydro-6H-[1,4]dioxepino[2,3-c]pyridazine

7,8-dihydro-6H-[1,4]dioxepino[2,3-c]pyridazine (PubChem CID 162357490) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 7,8-dihydro-6H-[1,4]dioxepino[2,3-c]pyridazine.

Molecular Properties

Compound Name7,8-dihydro-6H-[1,4]dioxepino[2,3-c]pyridazine
PubChem CID162357490
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name7,8-dihydro-6H-[1,4]dioxepino[2,3-c]pyridazine
SMILESc1cc2c(nn1)OCCCO2
InChIInChI=1S/C7H8N2O2/c1-4-10-6-2-3-8-9-7(6)11-5-1/h2-3H,1,4-5H2
InChIKeyBQTVRHSGJQMGKV-UHFFFAOYSA-N
XLogP0.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-6H-[1,4]dioxepino[2,3-c]pyridazine?
The IUPAC name of 7,8-dihydro-6H-[1,4]dioxepino[2,3-c]pyridazine (CID 162357490) is 7,8-dihydro-6H-[1,4]dioxepino[2,3-c]pyridazine.
What is the SMILES notation for 7,8-dihydro-6H-[1,4]dioxepino[2,3-c]pyridazine?
The canonical SMILES for 7,8-dihydro-6H-[1,4]dioxepino[2,3-c]pyridazine is c1cc2c(nn1)OCCCO2.
What is the InChIKey of 7,8-dihydro-6H-[1,4]dioxepino[2,3-c]pyridazine?
The InChIKey is BQTVRHSGJQMGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-4-10-6-2-3-8-9-7(6)11-5-1/h2-3H,1,4-5H2.
What are the key properties of 7,8-dihydro-6H-[1,4]dioxepino[2,3-c]pyridazine?
7,8-dihydro-6H-[1,4]dioxepino[2,3-c]pyridazine has a molecular weight of 152.15 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-6H-[1,4]dioxepino[2,3-c]pyridazine is sourced from PubChem (CID 162357490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).