5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine

C8H12N2 — CID 146410078

IUPAC5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine
SMILESC1=CC2CCCCN2N=C1
InChIInChI=1S/C8H12N2/c1-2-7-10-8(4-1)5-3-6-9-10/h3,5-6,8H,1-2,4,7H2
InChIKeyHJTIJGQQUQDCFN-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.40
Rot. Bonds

About 5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine

5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine (PubChem CID 146410078) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine
PubChem CID146410078
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine
SMILESC1=CC2CCCCN2N=C1
InChIInChI=1S/C8H12N2/c1-2-7-10-8(4-1)5-3-6-9-10/h3,5-6,8H,1-2,4,7H2
InChIKeyHJTIJGQQUQDCFN-UHFFFAOYSA-N
XLogP1.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine?
The IUPAC name of 5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine (CID 146410078) is 5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine.
What is the SMILES notation for 5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine?
The canonical SMILES for 5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine is C1=CC2CCCCN2N=C1.
What is the InChIKey of 5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine?
The InChIKey is HJTIJGQQUQDCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-7-10-8(4-1)5-3-6-9-10/h3,5-6,8H,1-2,4,7H2.
What are the key properties of 5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine?
5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine has a molecular weight of 136.20 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine is sourced from PubChem (CID 146410078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).