(5R)-3,3,5-trimethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine

C11H18N2 — CID 142321782

IUPAC(5R)-3,3,5-trimethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine
SMILESC[C@@H]1CCCN2N=CC(C)(C)C=C12
InChIInChI=1S/C11H18N2/c1-9-5-4-6-13-10(9)7-11(2,3)8-12-13/h7-9H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyAZJNFYVVDFXGOM-SECBINFHSA-N
MW178.28 g/mol
LogP2.63
Rot. Bonds

About (5R)-3,3,5-trimethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine

(5R)-3,3,5-trimethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine (PubChem CID 142321782) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (5R)-3,3,5-trimethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine.

Molecular Properties

Compound Name(5R)-3,3,5-trimethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine
PubChem CID142321782
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(5R)-3,3,5-trimethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine
SMILESC[C@@H]1CCCN2N=CC(C)(C)C=C12
InChIInChI=1S/C11H18N2/c1-9-5-4-6-13-10(9)7-11(2,3)8-12-13/h7-9H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyAZJNFYVVDFXGOM-SECBINFHSA-N
XLogP2.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,3,5-trimethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine?
The IUPAC name of (5R)-3,3,5-trimethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine (CID 142321782) is (5R)-3,3,5-trimethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine.
What is the SMILES notation for (5R)-3,3,5-trimethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine?
The canonical SMILES for (5R)-3,3,5-trimethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine is C[C@@H]1CCCN2N=CC(C)(C)C=C12.
What is the InChIKey of (5R)-3,3,5-trimethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine?
The InChIKey is AZJNFYVVDFXGOM-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-5-4-6-13-10(9)7-11(2,3)8-12-13/h7-9H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of (5R)-3,3,5-trimethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine?
(5R)-3,3,5-trimethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine has a molecular weight of 178.28 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,3,5-trimethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine is sourced from PubChem (CID 142321782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).