5-ethyl-2-methyltetrazole

C4H8N4 — CID 10011883

IUPAC5-ethyl-2-methyltetrazole
SMILESCCc1nnn(C)n1
InChIInChI=1S/C4H8N4/c1-3-4-5-7-8(2)6-4/h3H2,1-2H3
InChIKeyKQZVZSLSSZSTTE-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.23
Rot. Bonds1

About 5-ethyl-2-methyltetrazole

5-ethyl-2-methyltetrazole (PubChem CID 10011883) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 5-ethyl-2-methyltetrazole.

Molecular Properties

Compound Name5-ethyl-2-methyltetrazole
PubChem CID10011883
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name5-ethyl-2-methyltetrazole
SMILESCCc1nnn(C)n1
InChIInChI=1S/C4H8N4/c1-3-4-5-7-8(2)6-4/h3H2,1-2H3
InChIKeyKQZVZSLSSZSTTE-UHFFFAOYSA-N
XLogP-0.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyltetrazole?
The IUPAC name of 5-ethyl-2-methyltetrazole (CID 10011883) is 5-ethyl-2-methyltetrazole.
What is the SMILES notation for 5-ethyl-2-methyltetrazole?
The canonical SMILES for 5-ethyl-2-methyltetrazole is CCc1nnn(C)n1.
What is the InChIKey of 5-ethyl-2-methyltetrazole?
The InChIKey is KQZVZSLSSZSTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-3-4-5-7-8(2)6-4/h3H2,1-2H3.
What are the key properties of 5-ethyl-2-methyltetrazole?
5-ethyl-2-methyltetrazole has a molecular weight of 112.14 g/mol, XLogP of -0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyltetrazole is sourced from PubChem (CID 10011883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).