5-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine

C11H17N3 — CID 126545536

IUPAC5-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine
SMILESCC(C)(C)C1CCNc2nnccc21
InChIInChI=1S/C11H17N3/c1-11(2,3)9-5-6-12-10-8(9)4-7-13-14-10/h4,7,9H,5-6H2,1-3H3,(H,12,14)
InChIKeySJSZVHXCJSQZLQ-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.42
Rot. Bonds

About 5-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine

5-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine (PubChem CID 126545536) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 5-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine.

Molecular Properties

Compound Name5-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine
PubChem CID126545536
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name5-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine
SMILESCC(C)(C)C1CCNc2nnccc21
InChIInChI=1S/C11H17N3/c1-11(2,3)9-5-6-12-10-8(9)4-7-13-14-10/h4,7,9H,5-6H2,1-3H3,(H,12,14)
InChIKeySJSZVHXCJSQZLQ-UHFFFAOYSA-N
XLogP2.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine?
The IUPAC name of 5-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine (CID 126545536) is 5-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine.
What is the SMILES notation for 5-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine?
The canonical SMILES for 5-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine is CC(C)(C)C1CCNc2nnccc21.
What is the InChIKey of 5-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine?
The InChIKey is SJSZVHXCJSQZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-11(2,3)9-5-6-12-10-8(9)4-7-13-14-10/h4,7,9H,5-6H2,1-3H3,(H,12,14).
What are the key properties of 5-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine?
5-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine has a molecular weight of 191.28 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine is sourced from PubChem (CID 126545536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).