3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine

C26H26N2 — CID 174639624

IUPAC3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine
SMILESCc1ccc2c(c1)-c1ccc3c(c1CC2CCc1ccc(C)nn1)CCC=C3
InChIInChI=1S/C26H26N2/c1-17-7-13-23-20(9-12-21-11-8-18(2)27-28-21)16-26-22-6-4-3-5-19(22)10-14-24(26)25(23)15-17/h3,5,7-8,10-11,13-15,20H,4,6,9,12,16H2,1-2H3
InChIKeyJMLRYUKQPMKZKZ-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.99
Rot. Bonds3

About 3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine

3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine (PubChem CID 174639624) has the molecular formula C26H26N2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine
PubChem CID174639624
Molecular FormulaC26H26N2
Molecular Weight366.51 g/mol
Exact Mass366.21
IUPAC Name3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine
SMILESCc1ccc2c(c1)-c1ccc3c(c1CC2CCc1ccc(C)nn1)CCC=C3
InChIInChI=1S/C26H26N2/c1-17-7-13-23-20(9-12-21-11-8-18(2)27-28-21)16-26-22-6-4-3-5-19(22)10-14-24(26)25(23)15-17/h3,5,7-8,10-11,13-15,20H,4,6,9,12,16H2,1-2H3
InChIKeyJMLRYUKQPMKZKZ-UHFFFAOYSA-N
XLogP5.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene
CID 174639640
9-methyl-3,4,5,6-tetrahydrochrysene
CID 144659950
3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine
CID 174639750
2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine
CID 174639652
7-methyl-1,2-dihydronaphthalene
CID 123252357
1-(3-methylphenyl)-7,8-dihydroisoquinoline
CID 71147862
2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine
CID 174626361
7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene
CID 174419815
3-methyl-6-[(6-methylpyridazin-3-yl)methyl]pyridazine
CID 59592002
10-methyl-1,2,4b,8a-tetrahydrotriphenylene
CID 123827251
2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-methyl-5-[(Z)-2-(9,10,11,12-tetrahydrochrysen-1-yl)ethenyl]pyridine
CID 174663537
(1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride
CID 169449547

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine?
The IUPAC name of 3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine (CID 174639624) is 3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine.
What is the SMILES notation for 3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine?
The canonical SMILES for 3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine is Cc1ccc2c(c1)-c1ccc3c(c1CC2CCc1ccc(C)nn1)CCC=C3.
What is the InChIKey of 3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine?
The InChIKey is JMLRYUKQPMKZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2/c1-17-7-13-23-20(9-12-21-11-8-18(2)27-28-21)16-26-22-6-4-3-5-19(22)10-14-24(26)25(23)15-17/h3,5,7-8,10-11,13-15,20H,4,6,9,12,16H2,1-2H3.
What are the key properties of 3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine?
3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine has a molecular weight of 366.51 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine is sourced from PubChem (CID 174639624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).