3-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine

C11H17N3 — CID 59774492

IUPAC3-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
SMILESCC(C)(C)c1cc2c(nn1)CCNC2
InChIInChI=1S/C11H17N3/c1-11(2,3)10-6-8-7-12-5-4-9(8)13-14-10/h6,12H,4-5,7H2,1-3H3
InChIKeyAPGFTQYLSXUFLR-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.42
Rot. Bonds

About 3-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine

3-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine (PubChem CID 59774492) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine.

Molecular Properties

Compound Name3-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
PubChem CID59774492
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
SMILESCC(C)(C)c1cc2c(nn1)CCNC2
InChIInChI=1S/C11H17N3/c1-11(2,3)10-6-8-7-12-5-4-9(8)13-14-10/h6,12H,4-5,7H2,1-3H3
InChIKeyAPGFTQYLSXUFLR-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine?
The IUPAC name of 3-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine (CID 59774492) is 3-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine.
What is the SMILES notation for 3-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine?
The canonical SMILES for 3-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine is CC(C)(C)c1cc2c(nn1)CCNC2.
What is the InChIKey of 3-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine?
The InChIKey is APGFTQYLSXUFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-11(2,3)10-6-8-7-12-5-4-9(8)13-14-10/h6,12H,4-5,7H2,1-3H3.
What are the key properties of 3-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine?
3-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine has a molecular weight of 191.28 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine is sourced from PubChem (CID 59774492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).