9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine

C20H12N6O2 — CID 101223337

IUPAC9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine
SMILESO=[N+]([O-])c1ccc(-c2nnnn2-c2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C20H12N6O2/c27-26(28)14-11-9-13(10-12-14)20-22-23-24-25(20)19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1-12H
InChIKeyMSVDNAGBEVQISZ-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.94
Rot. Bonds3

About 9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine

9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine (PubChem CID 101223337) has the molecular formula C20H12N6O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine.

Molecular Properties

Compound Name9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine
PubChem CID101223337
Molecular FormulaC20H12N6O2
Molecular Weight368.36 g/mol
Exact Mass368.10
IUPAC Name9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine
SMILESO=[N+]([O-])c1ccc(-c2nnnn2-c2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C20H12N6O2/c27-26(28)14-11-9-13(10-12-14)20-22-23-24-25(20)19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1-12H
InChIKeyMSVDNAGBEVQISZ-UHFFFAOYSA-N
XLogP3.94
TPSA99.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 742061
3-(4-nitrophenyl)-2-phenylquinazolin-4-one
CID 921318
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CID 82144952
5-(2-bromophenyl)-1-(4-nitrophenyl)tetrazole
CID 19935790
4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline
CID 15867137
4-[5-[1-(4-nitrophenyl)tetrazol-5-yl]tetrazol-1-yl]aniline
CID 57134720
1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
CID 53243899
[4-[3-(4-nitrophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]-phenylmethanone
CID 46158543
2-(4-methylphenyl)-3-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 4547984
3-[2-(4-nitrophenyl)benzimidazol-1-yl]propanethioamide
CID 82149835
1-(4-nitrophenyl)-5-[(2S)-3-phenyl-2H-azirin-2-yl]tetrazole
CID 154719238
1-naphthalen-1-yl-5-[(4-nitrophenyl)methylsulfanyl]tetrazole
CID 1249634

Frequently Asked Questions

What is the IUPAC name of 9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine?
The IUPAC name of 9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine (CID 101223337) is 9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine.
What is the SMILES notation for 9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine?
The canonical SMILES for 9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine is O=[N+]([O-])c1ccc(-c2nnnn2-c2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of 9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine?
The InChIKey is MSVDNAGBEVQISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N6O2/c27-26(28)14-11-9-13(10-12-14)20-22-23-24-25(20)19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1-12H.
What are the key properties of 9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine?
9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine has a molecular weight of 368.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine is sourced from PubChem (CID 101223337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).