2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium

C20H16N5O+ — CID 155701941

IUPAC2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium
SMILESCc1ccc(-[n+]2nc(-c3ccccc3)nn2-c2ccc(N=O)cc2)cc1
InChIInChI=1S/C20H16N5O/c1-15-7-11-18(12-8-15)24-21-20(16-5-3-2-4-6-16)22-25(24)19-13-9-17(23-26)10-14-19/h2-14H,1H3/q+1
InChIKeyQRBCPAYMOFOUEZ-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.92
Rot. Bonds4

About 2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium

2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium (PubChem CID 155701941) has the molecular formula C20H16N5O+ and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium
PubChem CID155701941
Molecular FormulaC20H16N5O+
Molecular Weight342.38 g/mol
Exact Mass342.13
IUPAC Name2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium
SMILESCc1ccc(-[n+]2nc(-c3ccccc3)nn2-c2ccc(N=O)cc2)cc1
InChIInChI=1S/C20H16N5O/c1-15-7-11-18(12-8-15)24-21-20(16-5-3-2-4-6-16)22-25(24)19-13-9-17(23-26)10-14-19/h2-14H,1H3/q+1
InChIKeyQRBCPAYMOFOUEZ-UHFFFAOYSA-N
XLogP3.92
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium
CID 44630123
2,3,5-triphenyltetrazol-2-ium;chloride;hydrate
CID 23288416
5-(4-ethoxyphenyl)-2,3-bis(4-methylphenyl)tetrazol-2-ium chloride
CID 69439535
dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride
CID 155317226
5-[(4-methylphenyl)diazenyl]-2-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]benzenesulfonate
CID 134164447
2-[3-[4-(3,5-diphenyltetrazol-3-ium-2-yl)-2-methoxyphenyl]-4-methoxyphenyl]-3,5-diphenyltetrazol-3-ium dichloride
CID 44888661
2,3-diphenyl-5-thiophen-3-yltetrazol-2-ium
CID 22950688
2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-5-[4-(4-methoxyphenyl)phenyl]-3-phenyltetrazol-2-ium dichloride
CID 10306284
5-[(4-methylphenyl)diazenyl]-2-(3-methyl-5-phenyltetrazol-3-ium-2-yl)benzenesulfonic acid
CID 160787115
5-methyl-2,3-diphenyltetrazol-2-ium chloride
CID 13010650
2-[3-[3-(3,5-diphenyltetrazol-2-ium-2-yl)-2-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyltetrazol-2-ium dichloride
CID 2723606
carbanide;2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazol-3-ium;2-naphthalen-1-yl-3,5-diphenyltetrazol-2-ium;2-naphthalen-1-yl-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium;2,3,5-triphenyltetrazol-2-ium
CID 161230640

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium?
The IUPAC name of 2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium (CID 155701941) is 2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium.
What is the SMILES notation for 2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium?
The canonical SMILES for 2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium is Cc1ccc(-[n+]2nc(-c3ccccc3)nn2-c2ccc(N=O)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium?
The InChIKey is QRBCPAYMOFOUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N5O/c1-15-7-11-18(12-8-15)24-21-20(16-5-3-2-4-6-16)22-25(24)19-13-9-17(23-26)10-14-19/h2-14H,1H3/q+1.
What are the key properties of 2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium?
2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium has a molecular weight of 342.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium is sourced from PubChem (CID 155701941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).