1-ethyl-5-methyltetrazole

C4H8N4 — CID 12693192

IUPAC1-ethyl-5-methyltetrazole
SMILESCCn1nnnc1C
InChIInChI=1S/C4H8N4/c1-3-8-4(2)5-6-7-8/h3H2,1-2H3
InChIKeyHPZIIBYLAYWBSN-UHFFFAOYSA-N
MW112.14 g/mol
LogP0.00
Rot. Bonds1

About 1-ethyl-5-methyltetrazole

1-ethyl-5-methyltetrazole (PubChem CID 12693192) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 1-ethyl-5-methyltetrazole.

Molecular Properties

Compound Name1-ethyl-5-methyltetrazole
PubChem CID12693192
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name1-ethyl-5-methyltetrazole
SMILESCCn1nnnc1C
InChIInChI=1S/C4H8N4/c1-3-8-4(2)5-6-7-8/h3H2,1-2H3
InChIKeyHPZIIBYLAYWBSN-UHFFFAOYSA-N
XLogP0.00
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 ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-5-methyltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyltetrazole?
The IUPAC name of 1-ethyl-5-methyltetrazole (CID 12693192) is 1-ethyl-5-methyltetrazole.
What is the SMILES notation for 1-ethyl-5-methyltetrazole?
The canonical SMILES for 1-ethyl-5-methyltetrazole is CCn1nnnc1C.
What is the InChIKey of 1-ethyl-5-methyltetrazole?
The InChIKey is HPZIIBYLAYWBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-3-8-4(2)5-6-7-8/h3H2,1-2H3.
What are the key properties of 1-ethyl-5-methyltetrazole?
1-ethyl-5-methyltetrazole has a molecular weight of 112.14 g/mol, XLogP of 0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyltetrazole is sourced from PubChem (CID 12693192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).