2,5-diethyltetrazole

C5H10N4 — CID 10441712

IUPAC2,5-diethyltetrazole
SMILESCCc1nnn(CC)n1
InChIInChI=1S/C5H10N4/c1-3-5-6-8-9(4-2)7-5/h3-4H2,1-2H3
InChIKeyMRTHIBSYBORMSI-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.26
Rot. Bonds2

About 2,5-diethyltetrazole

2,5-diethyltetrazole (PubChem CID 10441712) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2,5-diethyltetrazole.

Molecular Properties

Compound Name2,5-diethyltetrazole
PubChem CID10441712
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name2,5-diethyltetrazole
SMILESCCc1nnn(CC)n1
InChIInChI=1S/C5H10N4/c1-3-5-6-8-9(4-2)7-5/h3-4H2,1-2H3
InChIKeyMRTHIBSYBORMSI-UHFFFAOYSA-N
XLogP0.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyltetrazole?
The IUPAC name of 2,5-diethyltetrazole (CID 10441712) is 2,5-diethyltetrazole.
What is the SMILES notation for 2,5-diethyltetrazole?
The canonical SMILES for 2,5-diethyltetrazole is CCc1nnn(CC)n1.
What is the InChIKey of 2,5-diethyltetrazole?
The InChIKey is MRTHIBSYBORMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-3-5-6-8-9(4-2)7-5/h3-4H2,1-2H3.
What are the key properties of 2,5-diethyltetrazole?
2,5-diethyltetrazole has a molecular weight of 126.16 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyltetrazole is sourced from PubChem (CID 10441712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).