2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline

C15H12N6O2 — CID 2817361

IUPAC2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline
SMILESO=[N+]([O-])c1ccccc1NC=Cc1nnnn1-c1ccccc1
InChIInChI=1S/C15H12N6O2/c22-21(23)14-9-5-4-8-13(14)16-11-10-15-17-18-19-20(15)12-6-2-1-3-7-12/h1-11,16H
InChIKeyKDBNWIFKKHJGEI-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.65
Rot. Bonds5

About 2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline

2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline (PubChem CID 2817361) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline.

Molecular Properties

Compound Name2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline
PubChem CID2817361
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline
SMILESO=[N+]([O-])c1ccccc1NC=Cc1nnnn1-c1ccccc1
InChIInChI=1S/C15H12N6O2/c22-21(23)14-9-5-4-8-13(14)16-11-10-15-17-18-19-20(15)12-6-2-1-3-7-12/h1-11,16H
InChIKeyKDBNWIFKKHJGEI-UHFFFAOYSA-N
XLogP2.65
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile
CID 2729593
2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid
CID 74520995
N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-2-methylaniline
CID 593987
[2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]phenyl]-phenylmethanone
CID 2729156
[2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone
CID 10363707
1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 10403670
[4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone
CID 6040171
5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole
CID 19594090
methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
CID 10043795
1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone
CID 4592804
5-ethenyl-1-phenyltetrazole
CID 12753529
5-[(2-nitrophenyl)disulfanyl]-1-phenyltetrazole
CID 14454124

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline?
The IUPAC name of 2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline (CID 2817361) is 2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline.
What is the SMILES notation for 2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline?
The canonical SMILES for 2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline is O=[N+]([O-])c1ccccc1NC=Cc1nnnn1-c1ccccc1.
What is the InChIKey of 2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline?
The InChIKey is KDBNWIFKKHJGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c22-21(23)14-9-5-4-8-13(14)16-11-10-15-17-18-19-20(15)12-6-2-1-3-7-12/h1-11,16H.
What are the key properties of 2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline?
2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline has a molecular weight of 308.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline is sourced from PubChem (CID 2817361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).