2-(1-benzyltetrazol-5-yl)pyridine

C13H11N5 — CID 86063303

IUPAC2-(1-benzyltetrazol-5-yl)pyridine
SMILESc1ccc(Cn2nnnc2-c2ccccn2)cc1
InChIInChI=1S/C13H11N5/c1-2-6-11(7-3-1)10-18-13(15-16-17-18)12-8-4-5-9-14-12/h1-9H,10H2
InChIKeyVPMNJHKAWYRIEH-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.78
Rot. Bonds3

About 2-(1-benzyltetrazol-5-yl)pyridine

2-(1-benzyltetrazol-5-yl)pyridine (PubChem CID 86063303) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)pyridine
PubChem CID86063303
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name2-(1-benzyltetrazol-5-yl)pyridine
SMILESc1ccc(Cn2nnnc2-c2ccccn2)cc1
InChIInChI=1S/C13H11N5/c1-2-6-11(7-3-1)10-18-13(15-16-17-18)12-8-4-5-9-14-12/h1-9H,10H2
InChIKeyVPMNJHKAWYRIEH-UHFFFAOYSA-N
XLogP1.78
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
CID 82228443
2-[1-[3-(tetrazol-1-yl)propyl]tetrazol-5-yl]pyridine
CID 102517127
1-benzyl-5-chlorotetrazole
CID 46835417
4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475047
2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione
CID 53483400
1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole
CID 11673524
4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 140518111
1-benzyl-5-(2,3-difluorophenyl)tetrazole
CID 11543614
7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one
CID 167878271
3-(1-benzyltetrazol-5-yl)-2-methylaniline
CID 61353888
2-(1-benzyl-4-methylpyrrol-2-yl)pyridine
CID 86011752
1-benzyl-5-(trichloromethyl)tetrazole
CID 69032127

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)pyridine?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)pyridine (CID 86063303) is 2-(1-benzyltetrazol-5-yl)pyridine.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)pyridine?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)pyridine is c1ccc(Cn2nnnc2-c2ccccn2)cc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)pyridine?
The InChIKey is VPMNJHKAWYRIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c1-2-6-11(7-3-1)10-18-13(15-16-17-18)12-8-4-5-9-14-12/h1-9H,10H2.
What are the key properties of 2-(1-benzyltetrazol-5-yl)pyridine?
2-(1-benzyltetrazol-5-yl)pyridine has a molecular weight of 237.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)pyridine is sourced from PubChem (CID 86063303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).