5-ethyltetrazole-5-carbonitrile

C4H5N5 — CID 69386482

IUPAC5-ethyltetrazole-5-carbonitrile
SMILESCCC1(C#N)N=NN=N1
InChIInChI=1S/C4H5N5/c1-2-4(3-5)6-8-9-7-4/h2H2,1H3
InChIKeyDBKBMWMXTDDQEY-UHFFFAOYSA-N
MW123.12 g/mol
LogP1.45
Rot. Bonds1

About 5-ethyltetrazole-5-carbonitrile

5-ethyltetrazole-5-carbonitrile (PubChem CID 69386482) has the molecular formula C4H5N5 and a molecular weight of 123.12 g/mol. Its IUPAC name is 5-ethyltetrazole-5-carbonitrile.

Molecular Properties

Compound Name5-ethyltetrazole-5-carbonitrile
PubChem CID69386482
Molecular FormulaC4H5N5
Molecular Weight123.12 g/mol
Exact Mass123.05
IUPAC Name5-ethyltetrazole-5-carbonitrile
SMILESCCC1(C#N)N=NN=N1
InChIInChI=1S/C4H5N5/c1-2-4(3-5)6-8-9-7-4/h2H2,1H3
InChIKeyDBKBMWMXTDDQEY-UHFFFAOYSA-N
XLogP1.45
TPSA73.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.12
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyltetrazole-5-carbonitrile?
The IUPAC name of 5-ethyltetrazole-5-carbonitrile (CID 69386482) is 5-ethyltetrazole-5-carbonitrile.
What is the SMILES notation for 5-ethyltetrazole-5-carbonitrile?
The canonical SMILES for 5-ethyltetrazole-5-carbonitrile is CCC1(C#N)N=NN=N1.
What is the InChIKey of 5-ethyltetrazole-5-carbonitrile?
The InChIKey is DBKBMWMXTDDQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5/c1-2-4(3-5)6-8-9-7-4/h2H2,1H3.
What are the key properties of 5-ethyltetrazole-5-carbonitrile?
5-ethyltetrazole-5-carbonitrile has a molecular weight of 123.12 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyltetrazole-5-carbonitrile is sourced from PubChem (CID 69386482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).