6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile

C8H7N7 — CID 64589167

IUPAC6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCc2nn[nH]n2)n1
InChIInChI=1S/C8H7N7/c9-4-6-2-1-3-7(11-6)10-5-8-12-14-15-13-8/h1-3H,5H2,(H,10,11)(H,12,13,14,15)
InChIKeyUNSLMTQHBLSCPZ-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.08
Rot. Bonds3

About 6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile

6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile (PubChem CID 64589167) has the molecular formula C8H7N7 and a molecular weight of 201.19 g/mol. Its IUPAC name is 6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile
PubChem CID64589167
Molecular FormulaC8H7N7
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCc2nn[nH]n2)n1
InChIInChI=1S/C8H7N7/c9-4-6-2-1-3-7(11-6)10-5-8-12-14-15-13-8/h1-3H,5H2,(H,10,11)(H,12,13,14,15)
InChIKeyUNSLMTQHBLSCPZ-UHFFFAOYSA-N
XLogP0.08
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile?
The IUPAC name of 6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile (CID 64589167) is 6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile is N#Cc1cccc(NCc2nn[nH]n2)n1.
What is the InChIKey of 6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile?
The InChIKey is UNSLMTQHBLSCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N7/c9-4-6-2-1-3-7(11-6)10-5-8-12-14-15-13-8/h1-3H,5H2,(H,10,11)(H,12,13,14,15).
What are the key properties of 6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile?
6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile has a molecular weight of 201.19 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 64589167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).