4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine

C28H31N3 — CID 154977662

IUPAC4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine
SMILESC=C1C=NN2C(=C1C)C(=C)N(C(C)C)CC2C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C28H31N3/c1-18(2)30-17-26(31-28(21(30)5)20(4)19(3)16-29-31)27-24-12-8-6-10-22(24)14-15-23-11-7-9-13-25(23)27/h6-13,16,18,26-27H,3,5,14-15,17H2,1-2,4H3
InChIKeyMUGNMIJDGODYMQ-UHFFFAOYSA-N
MW409.58 g/mol
LogP5.66
Rot. Bonds2

About 4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine

4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine (PubChem CID 154977662) has the molecular formula C28H31N3 and a molecular weight of 409.58 g/mol. Its IUPAC name is 4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine.

Molecular Properties

Compound Name4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine
PubChem CID154977662
Molecular FormulaC28H31N3
Molecular Weight409.58 g/mol
Exact Mass409.25
IUPAC Name4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine
SMILESC=C1C=NN2C(=C1C)C(=C)N(C(C)C)CC2C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C28H31N3/c1-18(2)30-17-26(31-28(21(30)5)20(4)19(3)16-29-31)27-24-12-8-6-10-22(24)14-15-23-11-7-9-13-25(23)27/h6-13,16,18,26-27H,3,5,14-15,17H2,1-2,4H3
InChIKeyMUGNMIJDGODYMQ-UHFFFAOYSA-N
XLogP5.66
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.58
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine with MolForge

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Related Compounds

(4S)-9-hydroxy-8-methylidene-6-methylsulfinyl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidin-1-one
CID 129095970
[(8S)-3,5-dioxo-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl] 2-methylpropanoate
CID 122532533
(4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 129097132
[(11R)-11-[1-fluoro-7-(1-phosphanylethenyl)-6-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-4,8-dioxo-9-propan-2-yl-1,2,9-triazabicyclo[5.4.0]undeca-2,5,6-trien-5-yl] formate
CID 154977745
2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 168728590
4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110457310
7-(fluoromethyl)-5,6-dihydroxy-3-propan-2-yl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2,6-dihydropyrido[2,1-f][1,2,4]triazin-4-one
CID 134384980
9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride
CID 156565540
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70820364
1-[(2R)-4-(6-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl)-1-methylpiperazin-2-yl]ethanone
CID 59880621
(8S)-4-hydroxy-6-propyl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
CID 122532525

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine?
The IUPAC name of 4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine (CID 154977662) is 4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine.
What is the SMILES notation for 4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine?
The canonical SMILES for 4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine is C=C1C=NN2C(=C1C)C(=C)N(C(C)C)CC2C1c2ccccc2CCc2ccccc21.
What is the InChIKey of 4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine?
The InChIKey is MUGNMIJDGODYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3/c1-18(2)30-17-26(31-28(21(30)5)20(4)19(3)16-29-31)27-24-12-8-6-10-22(24)14-15-23-11-7-9-13-25(23)27/h6-13,16,18,26-27H,3,5,14-15,17H2,1-2,4H3.
What are the key properties of 4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine?
4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine has a molecular weight of 409.58 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine is sourced from PubChem (CID 154977662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).