N-benzyl-5-phenyltetrazol-1-amine

C14H13N5 — CID 2191866

IUPACN-benzyl-5-phenyltetrazol-1-amine
SMILESc1ccc(CNn2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C14H13N5/c1-3-7-12(8-4-1)11-15-19-14(16-17-18-19)13-9-5-2-6-10-13/h1-10,15H,11H2
InChIKeyJPLMRZXVJNFVBT-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.08
Rot. Bonds4

About N-benzyl-5-phenyltetrazol-1-amine

N-benzyl-5-phenyltetrazol-1-amine (PubChem CID 2191866) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-benzyl-5-phenyltetrazol-1-amine.

Molecular Properties

Compound NameN-benzyl-5-phenyltetrazol-1-amine
PubChem CID2191866
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC NameN-benzyl-5-phenyltetrazol-1-amine
SMILESc1ccc(CNn2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C14H13N5/c1-3-7-12(8-4-1)11-15-19-14(16-17-18-19)13-9-5-2-6-10-13/h1-10,15H,11H2
InChIKeyJPLMRZXVJNFVBT-UHFFFAOYSA-N
XLogP2.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Diphenyl-s-tetrazine
CID 23263
5-Phenyl-1H-tetrazole
CID 87425
5-(4-Methylphenyl)-1H-tetrazole
CID 285164
5-(3-fluorophenyl)-2H-1,2,3,4-tetrazole
CID 333943
5-(2-methylphenyl)-2H-1,2,3,4-tetrazole
CID 583067
5-(4'-Methyl-1,1'-biphenyl-2-yl)-1H-tetrazole
CID 9794697
5-(m-Tolyl)-1H-tetrazole
CID 583308
5-(2-fluorophenyl)-1H-1,2,3,4-tetrazole
CID 596275
5-(4-Fluorophenyl)-1H-tetrazole
CID 766140
5-(4-ethylphenyl)-2H-1,2,3,4-tetrazole
CID 647221
2-Benzyl-5-phenyl-2h-tetrazole
CID 285167
5-(2-Iodophenyl)-1H-tetrazole
CID 11086884

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-phenyltetrazol-1-amine?
The IUPAC name of N-benzyl-5-phenyltetrazol-1-amine (CID 2191866) is N-benzyl-5-phenyltetrazol-1-amine.
What is the SMILES notation for N-benzyl-5-phenyltetrazol-1-amine?
The canonical SMILES for N-benzyl-5-phenyltetrazol-1-amine is c1ccc(CNn2nnnc2-c2ccccc2)cc1.
What is the InChIKey of N-benzyl-5-phenyltetrazol-1-amine?
The InChIKey is JPLMRZXVJNFVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-3-7-12(8-4-1)11-15-19-14(16-17-18-19)13-9-5-2-6-10-13/h1-10,15H,11H2.
What are the key properties of N-benzyl-5-phenyltetrazol-1-amine?
N-benzyl-5-phenyltetrazol-1-amine has a molecular weight of 251.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-phenyltetrazol-1-amine is sourced from PubChem (CID 2191866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).