2,3,5,6,7,8-hexahydropyrido[4,3-c]pyridazine

C7H11N3 — CID 66659174

IUPAC2,3,5,6,7,8-hexahydropyrido[4,3-c]pyridazine
SMILESC1=C2CNCCC2=NNC1
InChIInChI=1S/C7H11N3/c1-4-9-10-7-2-3-8-5-6(1)7/h1,8-9H,2-5H2
InChIKeyHUWGPCQMZGSBQY-UHFFFAOYSA-N
MW137.19 g/mol
LogP-0.13
Rot. Bonds

About 2,3,5,6,7,8-hexahydropyrido[4,3-c]pyridazine

2,3,5,6,7,8-hexahydropyrido[4,3-c]pyridazine (PubChem CID 66659174) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydropyrido[4,3-c]pyridazine.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydropyrido[4,3-c]pyridazine
PubChem CID66659174
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2,3,5,6,7,8-hexahydropyrido[4,3-c]pyridazine
SMILESC1=C2CNCCC2=NNC1
InChIInChI=1S/C7H11N3/c1-4-9-10-7-2-3-8-5-6(1)7/h1,8-9H,2-5H2
InChIKeyHUWGPCQMZGSBQY-UHFFFAOYSA-N
XLogP-0.13
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydropyrido[4,3-c]pyridazine?
The IUPAC name of 2,3,5,6,7,8-hexahydropyrido[4,3-c]pyridazine (CID 66659174) is 2,3,5,6,7,8-hexahydropyrido[4,3-c]pyridazine.
What is the SMILES notation for 2,3,5,6,7,8-hexahydropyrido[4,3-c]pyridazine?
The canonical SMILES for 2,3,5,6,7,8-hexahydropyrido[4,3-c]pyridazine is C1=C2CNCCC2=NNC1.
What is the InChIKey of 2,3,5,6,7,8-hexahydropyrido[4,3-c]pyridazine?
The InChIKey is HUWGPCQMZGSBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-4-9-10-7-2-3-8-5-6(1)7/h1,8-9H,2-5H2.
What are the key properties of 2,3,5,6,7,8-hexahydropyrido[4,3-c]pyridazine?
2,3,5,6,7,8-hexahydropyrido[4,3-c]pyridazine has a molecular weight of 137.19 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexahydropyrido[4,3-c]pyridazine is sourced from PubChem (CID 66659174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).