2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride

C19H16ClN5O2 — CID 171375760

IUPAC2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(N2NC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C19H15N5O2.ClH/c25-24(26)18-13-11-17(12-14-18)23-21-19(15-7-3-1-4-8-15)20-22(23)16-9-5-2-6-10-16;/h1-14H,(H,20,21);1H
InChIKeyITGQYGGUISQXHU-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.12
Rot. Bonds4

About 2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride

2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride (PubChem CID 171375760) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride.

Molecular Properties

Compound Name2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride
PubChem CID171375760
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(N2NC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C19H15N5O2.ClH/c25-24(26)18-13-11-17(12-14-18)23-21-19(15-7-3-1-4-8-15)20-22(23)16-9-5-2-6-10-16;/h1-14H,(H,20,21);1H
InChIKeyITGQYGGUISQXHU-UHFFFAOYSA-N
XLogP4.12
TPSA74.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride 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

3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole
CID 135518352
2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole
CID 88842181
2-(1-benzothiophen-2-yl)-3-(4-nitrophenyl)-5-phenyl-1H-tetrazole;hydrobromide
CID 173024149
5-(2,4-dinitrophenyl)-2,3-diphenyl-1H-tetrazole
CID 19772917
2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride
CID 171375722
5-(4-bromophenyl)-3-phenyl-2-(2,4,6-trinitrophenyl)-1H-tetrazole;hydrochloride
CID 173444972
2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-tetrazol-2-yl]-1,3-benzothiazole
CID 19784976
2-[3-(4-nitrophenyl)-5-phenyl-1H-tetrazol-2-yl]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
CID 87582799
2,2-diethyl-3-hexyl-3-sulfobutanedioic acid;tris(4-[5-(4-nitrophenyl)-3-phenyl-1H-tetrazol-2-yl]phenol)
CID 173440726
2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine
CID 19911238
3-(2,3-diphenyl-1H-tetrazol-5-yl)pyridine
CID 71371596
1-[4-[2-(2-chloro-5-nitrophenyl)-5-(3-nitrophenyl)-1H-tetrazol-3-yl]phenyl]ethanone
CID 88844702

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride?
The IUPAC name of 2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride (CID 171375760) is 2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride.
What is the SMILES notation for 2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride?
The canonical SMILES for 2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride is Cl.O=[N+]([O-])c1ccc(N2NC(c3ccccc3)=NN2c2ccccc2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride?
The InChIKey is ITGQYGGUISQXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2.ClH/c25-24(26)18-13-11-17(12-14-18)23-21-19(15-7-3-1-4-8-15)20-22(23)16-9-5-2-6-10-16;/h1-14H,(H,20,21);1H.
What are the key properties of 2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride?
2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride has a molecular weight of 381.82 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride is sourced from PubChem (CID 171375760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).