5-methyl-5H-tetrazole

C2H4N4 — CID 10129893

IUPAC5-methyl-5H-tetrazole
SMILESCC1N=NN=N1
InChIInChI=1S/C2H4N4/c1-2-3-5-6-4-2/h2H,1H3
InChIKeyQWBKNSZOFMBNBH-UHFFFAOYSA-N
MW84.08 g/mol
LogP1.17
Rot. Bonds

About 5-methyl-5H-tetrazole

5-methyl-5H-tetrazole (PubChem CID 10129893) has the molecular formula C2H4N4 and a molecular weight of 84.08 g/mol. Its IUPAC name is 5-methyl-5H-tetrazole.

Molecular Properties

Compound Name5-methyl-5H-tetrazole
PubChem CID10129893
Molecular FormulaC2H4N4
Molecular Weight84.08 g/mol
Exact Mass84.04
IUPAC Name5-methyl-5H-tetrazole
SMILESCC1N=NN=N1
InChIInChI=1S/C2H4N4/c1-2-3-5-6-4-2/h2H,1H3
InChIKeyQWBKNSZOFMBNBH-UHFFFAOYSA-N
XLogP1.17
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.08
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5H-tetrazole?
The IUPAC name of 5-methyl-5H-tetrazole (CID 10129893) is 5-methyl-5H-tetrazole.
What is the SMILES notation for 5-methyl-5H-tetrazole?
The canonical SMILES for 5-methyl-5H-tetrazole is CC1N=NN=N1.
What is the InChIKey of 5-methyl-5H-tetrazole?
The InChIKey is QWBKNSZOFMBNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h2H,1H3.
What are the key properties of 5-methyl-5H-tetrazole?
5-methyl-5H-tetrazole has a molecular weight of 84.08 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5H-tetrazole is sourced from PubChem (CID 10129893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).