2-benzyltetrazole

C8H8N4 — CID 14782917

IUPAC2-benzyltetrazole
SMILESc1ccc(Cn2ncnn2)cc1
InChIInChI=1S/C8H8N4/c1-2-4-8(5-3-1)6-12-10-7-9-11-12/h1-5,7H,6H2
InChIKeyQSLJOIOPNUQETJ-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.72
Rot. Bonds2

About 2-benzyltetrazole

2-benzyltetrazole (PubChem CID 14782917) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-benzyltetrazole.

Molecular Properties

Compound Name2-benzyltetrazole
PubChem CID14782917
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name2-benzyltetrazole
SMILESc1ccc(Cn2ncnn2)cc1
InChIInChI=1S/C8H8N4/c1-2-4-8(5-3-1)6-12-10-7-9-11-12/h1-5,7H,6H2
InChIKeyQSLJOIOPNUQETJ-UHFFFAOYSA-N
XLogP0.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyltetrazole 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

2-(Phenylmethyl)-2H-tetrazol-5-amine
CID 562401
2-Benzyl-5-phenyl-2h-tetrazole
CID 285167
2H-Tetrazole, 2-ethyl-5-phenyl-
CID 14524424
2-Methyl-5-phenyl-2H-tetrazole
CID 329758
3-(5-Phenyl-tetrazol-2-yl)-propionitrile
CID 14359651
3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
CID 49833450
2-(Propen-3-yl)-5-phenyltetrazole
CID 329757
2-benzyl-5-ethynyl-2H-1,2,3,4-tetrazole
CID 146155453
5-Phenyl-2-vinyltetrazole
CID 13637554
5-Phenyl-2-(propan-2-yl)-2H-tetrazole
CID 15240699
2-Trityltetrazole
CID 15501108
2-(alpha,alpha-Dimethylbenzyl)tetrazole
CID 19388301

Frequently Asked Questions

What is the IUPAC name of 2-benzyltetrazole?
The IUPAC name of 2-benzyltetrazole (CID 14782917) is 2-benzyltetrazole.
What is the SMILES notation for 2-benzyltetrazole?
The canonical SMILES for 2-benzyltetrazole is c1ccc(Cn2ncnn2)cc1.
What is the InChIKey of 2-benzyltetrazole?
The InChIKey is QSLJOIOPNUQETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-2-4-8(5-3-1)6-12-10-7-9-11-12/h1-5,7H,6H2.
What are the key properties of 2-benzyltetrazole?
2-benzyltetrazole has a molecular weight of 160.18 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyltetrazole is sourced from PubChem (CID 14782917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).