N-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine

C15H14N6O2 — CID 3131952

IUPACN-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine
SMILESO=[N+]([O-])c1cccc(-n2nnnc2CNCc2ccccc2)c1
InChIInChI=1S/C15H14N6O2/c22-21(23)14-8-4-7-13(9-14)20-15(17-18-19-20)11-16-10-12-5-2-1-3-6-12/h1-9,16H,10-11H2
InChIKeyGGRYTFPDCBHQIR-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.86
Rot. Bonds6

About N-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine

N-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine (PubChem CID 3131952) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine
PubChem CID3131952
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC NameN-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine
SMILESO=[N+]([O-])c1cccc(-n2nnnc2CNCc2ccccc2)c1
InChIInChI=1S/C15H14N6O2/c22-21(23)14-8-4-7-13(9-14)20-15(17-18-19-20)11-16-10-12-5-2-1-3-6-12/h1-9,16H,10-11H2
InChIKeyGGRYTFPDCBHQIR-UHFFFAOYSA-N
XLogP1.86
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.86
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'}

Analyze N-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-nitrophenyl)-5-phenyl-1H-tetrazole
CID 4252743
1-(2,4-Dinitrophenyl)-5-phenyltetrazole
CID 1712845
4-Methyl-1-[1-(3-nitro-phenyl)-1H-tetrazol-5-ylmethyl]-piperidine
CID 12004677
1-(3-Nitrophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole;hydrobromide
CID 16192988
1-[1-(3-Nitro-phenyl)-1H-tetrazol-5-ylmethyl]-azepane
CID 3131951
5-[(3,5-Dinitrophenyl)methylselanyl]-1-phenyl-tetrazole
CID 90683072
N-[(E)-(3-nitrophenyl)methylideneamino]-4-(1-phenyltetrazol-5-yl)butan-1-amine
CID 177639485
N-[(E)-(2-nitrophenyl)methylideneamino]-4-(1-phenyltetrazol-5-yl)butan-1-amine
CID 177653991
(E)-N-benzyl-2-(1-phenyltetrazol-5-yl)ethenamine
CID 5713178
N-(4-fluorobenzyl)-1-(1-(3-nitrobenzyl)-1h-tetrazol-5-yl)methanamine
CID 129892217
Cambridge id 5781653
CID 2867838
1-(3-Nitrophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole
CID 3167844

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine (CID 3131952) is N-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine is O=[N+]([O-])c1cccc(-n2nnnc2CNCc2ccccc2)c1.
What is the InChIKey of N-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine?
The InChIKey is GGRYTFPDCBHQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c22-21(23)14-8-4-7-13(9-14)20-15(17-18-19-20)11-16-10-12-5-2-1-3-6-12/h1-9,16H,10-11H2.
What are the key properties of N-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine?
N-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine has a molecular weight of 310.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 3131952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).