5,7-dimethyltetrazolo[1,5-a]pyridine-8-carbonitrile

C8H7N5 — CID 3235750

IUPAC5,7-dimethyltetrazolo[1,5-a]pyridine-8-carbonitrile
SMILESCc1cc(C)n2nnnc2c1C#N
InChIInChI=1S/C8H7N5/c1-5-3-6(2)13-8(7(5)4-9)10-11-12-13/h3H,1-2H3
InChIKeyOAXIKPHHQBZTRO-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.61
Rot. Bonds

About 5,7-dimethyltetrazolo[1,5-a]pyridine-8-carbonitrile

5,7-dimethyltetrazolo[1,5-a]pyridine-8-carbonitrile (PubChem CID 3235750) has the molecular formula C8H7N5 and a molecular weight of 173.18 g/mol. Its IUPAC name is 5,7-dimethyltetrazolo[1,5-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name5,7-dimethyltetrazolo[1,5-a]pyridine-8-carbonitrile
PubChem CID3235750
Molecular FormulaC8H7N5
Molecular Weight173.18 g/mol
Exact Mass173.07
IUPAC Name5,7-dimethyltetrazolo[1,5-a]pyridine-8-carbonitrile
SMILESCc1cc(C)n2nnnc2c1C#N
InChIInChI=1S/C8H7N5/c1-5-3-6(2)13-8(7(5)4-9)10-11-12-13/h3H,1-2H3
InChIKeyOAXIKPHHQBZTRO-UHFFFAOYSA-N
XLogP0.61
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyltetrazolo[1,5-a]pyridine-8-carbonitrile?
The IUPAC name of 5,7-dimethyltetrazolo[1,5-a]pyridine-8-carbonitrile (CID 3235750) is 5,7-dimethyltetrazolo[1,5-a]pyridine-8-carbonitrile.
What is the SMILES notation for 5,7-dimethyltetrazolo[1,5-a]pyridine-8-carbonitrile?
The canonical SMILES for 5,7-dimethyltetrazolo[1,5-a]pyridine-8-carbonitrile is Cc1cc(C)n2nnnc2c1C#N.
What is the InChIKey of 5,7-dimethyltetrazolo[1,5-a]pyridine-8-carbonitrile?
The InChIKey is OAXIKPHHQBZTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5/c1-5-3-6(2)13-8(7(5)4-9)10-11-12-13/h3H,1-2H3.
What are the key properties of 5,7-dimethyltetrazolo[1,5-a]pyridine-8-carbonitrile?
5,7-dimethyltetrazolo[1,5-a]pyridine-8-carbonitrile has a molecular weight of 173.18 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyltetrazolo[1,5-a]pyridine-8-carbonitrile is sourced from PubChem (CID 3235750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).