3-(2H-tetrazol-5-ylmethyl)pyridine

C7H7N5 — CID 28602444

IUPAC3-(2H-tetrazol-5-ylmethyl)pyridine
SMILESc1cncc(Cc2nn[nH]n2)c1
InChIInChI=1S/C7H7N5/c1-2-6(5-8-3-1)4-7-9-11-12-10-7/h1-3,5H,4H2,(H,9,10,11,12)
InChIKeyKKLDLTCISAWVLM-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.19
Rot. Bonds2

About 3-(2H-tetrazol-5-ylmethyl)pyridine

3-(2H-tetrazol-5-ylmethyl)pyridine (PubChem CID 28602444) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-ylmethyl)pyridine.

Molecular Properties

Compound Name3-(2H-tetrazol-5-ylmethyl)pyridine
PubChem CID28602444
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name3-(2H-tetrazol-5-ylmethyl)pyridine
SMILESc1cncc(Cc2nn[nH]n2)c1
InChIInChI=1S/C7H7N5/c1-2-6(5-8-3-1)4-7-9-11-12-10-7/h1-3,5H,4H2,(H,9,10,11,12)
InChIKeyKKLDLTCISAWVLM-UHFFFAOYSA-N
XLogP0.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-ylmethyl)pyridine?
The IUPAC name of 3-(2H-tetrazol-5-ylmethyl)pyridine (CID 28602444) is 3-(2H-tetrazol-5-ylmethyl)pyridine.
What is the SMILES notation for 3-(2H-tetrazol-5-ylmethyl)pyridine?
The canonical SMILES for 3-(2H-tetrazol-5-ylmethyl)pyridine is c1cncc(Cc2nn[nH]n2)c1.
What is the InChIKey of 3-(2H-tetrazol-5-ylmethyl)pyridine?
The InChIKey is KKLDLTCISAWVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c1-2-6(5-8-3-1)4-7-9-11-12-10-7/h1-3,5H,4H2,(H,9,10,11,12).
What are the key properties of 3-(2H-tetrazol-5-ylmethyl)pyridine?
3-(2H-tetrazol-5-ylmethyl)pyridine has a molecular weight of 161.17 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-ylmethyl)pyridine is sourced from PubChem (CID 28602444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).