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

C12H20N2 — CID 174104334

IUPAC(5R,8S)-3,3,5,8-tetramethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine
SMILESC[C@@H]1CC[C@H](C)N2N=CC(C)(C)C=C12
InChIInChI=1S/C12H20N2/c1-9-5-6-10(2)14-11(9)7-12(3,4)8-13-14/h7-10H,5-6H2,1-4H3/t9-,10+/m1/s1
InChIKeyYYCAIQIJCCIKFG-ZJUUUORDSA-N
MW192.31 g/mol
LogP3.02
Rot. Bonds

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

(5R,8S)-3,3,5,8-tetramethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine (PubChem CID 174104334) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (5R,8S)-3,3,5,8-tetramethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine.

Molecular Properties

Compound Name(5R,8S)-3,3,5,8-tetramethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine
PubChem CID174104334
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(5R,8S)-3,3,5,8-tetramethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine
SMILESC[C@@H]1CC[C@H](C)N2N=CC(C)(C)C=C12
InChIInChI=1S/C12H20N2/c1-9-5-6-10(2)14-11(9)7-12(3,4)8-13-14/h7-10H,5-6H2,1-4H3/t9-,10+/m1/s1
InChIKeyYYCAIQIJCCIKFG-ZJUUUORDSA-N
XLogP3.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,8S)-3,3,5,8-tetramethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine?
The IUPAC name of (5R,8S)-3,3,5,8-tetramethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine (CID 174104334) is (5R,8S)-3,3,5,8-tetramethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine.
What is the SMILES notation for (5R,8S)-3,3,5,8-tetramethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine?
The canonical SMILES for (5R,8S)-3,3,5,8-tetramethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine is C[C@@H]1CC[C@H](C)N2N=CC(C)(C)C=C12.
What is the InChIKey of (5R,8S)-3,3,5,8-tetramethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine?
The InChIKey is YYCAIQIJCCIKFG-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-5-6-10(2)14-11(9)7-12(3,4)8-13-14/h7-10H,5-6H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of (5R,8S)-3,3,5,8-tetramethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine?
(5R,8S)-3,3,5,8-tetramethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine has a molecular weight of 192.31 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-3,3,5,8-tetramethyl-5,6,7,8-tetrahydropyrido[1,2-b]pyridazine is sourced from PubChem (CID 174104334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).