1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole

C15H12N8 — CID 3090521

IUPAC1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
SMILESc1ccc(-n2nnnc2Cc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H12N8/c1-3-7-12(8-4-1)22-14(16-18-20-22)11-15-17-19-21-23(15)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyBRHFFZPQSZXOOY-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.23
Rot. Bonds4

About 1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole

1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole (PubChem CID 3090521) has the molecular formula C15H12N8 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole.

Molecular Properties

Compound Name1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
PubChem CID3090521
Molecular FormulaC15H12N8
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
SMILESc1ccc(-n2nnnc2Cc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H12N8/c1-3-7-12(8-4-1)22-14(16-18-20-22)11-15-17-19-21-23(15)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyBRHFFZPQSZXOOY-UHFFFAOYSA-N
XLogP1.23
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
5-butyl-1-phenyltetrazole
CID 69031432
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine
CID 63199473
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
1-phenyl-5-(triazol-1-ylmethyl)tetrazole
CID 86816510
5-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-phenyltetrazole
CID 79453033
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol
CID 43394593
5-(2-bromobutyl)-1-phenyltetrazole
CID 63203792

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole?
The IUPAC name of 1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole (CID 3090521) is 1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole.
What is the SMILES notation for 1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole?
The canonical SMILES for 1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole is c1ccc(-n2nnnc2Cc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole?
The InChIKey is BRHFFZPQSZXOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N8/c1-3-7-12(8-4-1)22-14(16-18-20-22)11-15-17-19-21-23(15)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole?
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole has a molecular weight of 304.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole is sourced from PubChem (CID 3090521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).