3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol

C17H20N4O — CID 56670530

IUPAC3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol
SMILESCN1CC2CN(c3ccc(-c4cccc(O)c4)nn3)CC2C1
InChIInChI=1S/C17H20N4O/c1-20-8-13-10-21(11-14(13)9-20)17-6-5-16(18-19-17)12-3-2-4-15(22)7-12/h2-7,13-14,22H,8-11H2,1H3
InChIKeyYIICYKLHKMEVTE-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.85
Rot. Bonds2

About 3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol

3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol (PubChem CID 56670530) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol
PubChem CID56670530
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol
SMILESCN1CC2CN(c3ccc(-c4cccc(O)c4)nn3)CC2C1
InChIInChI=1S/C17H20N4O/c1-20-8-13-10-21(11-14(13)9-20)17-6-5-16(18-19-17)12-3-2-4-15(22)7-12/h2-7,13-14,22H,8-11H2,1H3
InChIKeyYIICYKLHKMEVTE-UHFFFAOYSA-N
XLogP1.85
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrochloride
CID 67162119
2-methyl-5-(6-thiophen-2-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 24824704
6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol
CID 136607493
(1R,5R)-3-[6-(3-methylphenyl)pyridazin-3-yl]-3,6-diazabicyclo[3.2.0]heptane
CID 57467058
5,5-dimethyl-2-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium iodide
CID 56667084
1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770780
5-[6-(4-methoxyphenyl)pyridazin-3-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-methylbenzenesulfonic acid
CID 56663654
3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]phenol
CID 71083472
methyl 6-[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazine-3-carboxylate
CID 129497824
[1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol
CID 116972855
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine
CID 59442820

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol?
The IUPAC name of 3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol (CID 56670530) is 3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol is CN1CC2CN(c3ccc(-c4cccc(O)c4)nn3)CC2C1.
What is the InChIKey of 3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol?
The InChIKey is YIICYKLHKMEVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-8-13-10-21(11-14(13)9-20)17-6-5-16(18-19-17)12-3-2-4-15(22)7-12/h2-7,13-14,22H,8-11H2,1H3.
What are the key properties of 3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol?
3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol has a molecular weight of 296.37 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 56670530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).