3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine

C18H13N3O — CID 1471355

IUPAC3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine
SMILESCc1ccc(-c2cc3c(N=O)c4ccccc4c-3n[nH]2)cc1
InChIInChI=1S/C18H13N3O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21-22/h2-10,19H,1H3
InChIKeyJVYQDXWZBLFPLB-UHFFFAOYSA-N
MW287.32 g/mol
LogP5.04
Rot. Bonds2

About 3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine

3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine (PubChem CID 1471355) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine
PubChem CID1471355
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine
SMILESCc1ccc(-c2cc3c(N=O)c4ccccc4c-3n[nH]2)cc1
InChIInChI=1S/C18H13N3O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21-22/h2-10,19H,1H3
InChIKeyJVYQDXWZBLFPLB-UHFFFAOYSA-N
XLogP5.04
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.32
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine
CID 1239237
5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914
4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one
CID 106520396
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-phthalazin-1-one
CID 95910199
4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one
CID 83046007
4-amino-5-nitroso-3-phenyl-1H-pyridazin-6-one
CID 10443288
N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
CID 59363907
4-nitroso-3,5-diphenyl-1H-pyrazole
CID 15566459
4-[3-amino-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one
CID 25271210
4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one
CID 106518613
4-(3,4-difluorophenyl)-2H-phthalazin-1-one
CID 28805276
4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine?
The IUPAC name of 3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine (CID 1471355) is 3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine.
What is the SMILES notation for 3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine?
The canonical SMILES for 3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine is Cc1ccc(-c2cc3c(N=O)c4ccccc4c-3n[nH]2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine?
The InChIKey is JVYQDXWZBLFPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21-22/h2-10,19H,1H3.
What are the key properties of 3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine?
3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine has a molecular weight of 287.32 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine is sourced from PubChem (CID 1471355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).