3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol

C16H17N3O — CID 134564052

IUPAC3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol
SMILESCc1nnc(C)c2c(C)n(-c3cccc(O)c3)c(C)c12
InChIInChI=1S/C16H17N3O/c1-9-15-11(3)19(13-6-5-7-14(20)8-13)12(4)16(15)10(2)18-17-9/h5-8,20H,1-4H3
InChIKeyVIXCMSMGDIAVCU-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.36
Rot. Bonds1

About 3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol

3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol (PubChem CID 134564052) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol.

Molecular Properties

Compound Name3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol
PubChem CID134564052
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol
SMILESCc1nnc(C)c2c(C)n(-c3cccc(O)c3)c(C)c12
InChIInChI=1S/C16H17N3O/c1-9-15-11(3)19(13-6-5-7-14(20)8-13)12(4)16(15)10(2)18-17-9/h5-8,20H,1-4H3
InChIKeyVIXCMSMGDIAVCU-UHFFFAOYSA-N
XLogP3.36
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol
CID 58393454
3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol
CID 67563854
6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
CID 715491
1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
CID 10779980
4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 107409889
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898
3-(2-chlorobenzimidazol-1-yl)phenol
CID 84802691
3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol
CID 123215844
3-(2-amino-5-methylbenzimidazol-1-yl)phenol
CID 84799591
3-(4-methyl-1,5-dihydropyrazol-2-yl)phenol
CID 126661673
7-fluoro-3-(3-hydroxyphenyl)-2-methylquinazolin-4-one
CID 166524233
3-[5-[4-(dimethylamino)phenyl]-1,2,4-triazol-1-yl]phenol
CID 23966601

Frequently Asked Questions

What is the IUPAC name of 3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol?
The IUPAC name of 3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol (CID 134564052) is 3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol.
What is the SMILES notation for 3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol?
The canonical SMILES for 3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol is Cc1nnc(C)c2c(C)n(-c3cccc(O)c3)c(C)c12.
What is the InChIKey of 3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol?
The InChIKey is VIXCMSMGDIAVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-9-15-11(3)19(13-6-5-7-14(20)8-13)12(4)16(15)10(2)18-17-9/h5-8,20H,1-4H3.
What are the key properties of 3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol?
3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol has a molecular weight of 267.33 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol is sourced from PubChem (CID 134564052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).