1-methyl-1H-tetrazol-1-ium

C2H5N4+ — CID 152773400

IUPAC1-methyl-1H-tetrazol-1-ium
SMILESC[NH+]1C=NN=N1
InChIInChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3/p+1
InChIKeyOMAFFHIGWTVZOH-UHFFFAOYSA-O
MW85.09 g/mol
LogP-1.17
Rot. Bonds

About 1-methyl-1H-tetrazol-1-ium

1-methyl-1H-tetrazol-1-ium (PubChem CID 152773400) has the molecular formula C2H5N4+ and a molecular weight of 85.09 g/mol. Its IUPAC name is 1-methyl-1H-tetrazol-1-ium.

Molecular Properties

Compound Name1-methyl-1H-tetrazol-1-ium
PubChem CID152773400
Molecular FormulaC2H5N4+
Molecular Weight85.09 g/mol
Exact Mass85.05
IUPAC Name1-methyl-1H-tetrazol-1-ium
SMILESC[NH+]1C=NN=N1
InChIInChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3/p+1
InChIKeyOMAFFHIGWTVZOH-UHFFFAOYSA-O
XLogP-1.17
TPSA41.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.09
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1H-tetrazol-1-ium?
The IUPAC name of 1-methyl-1H-tetrazol-1-ium (CID 152773400) is 1-methyl-1H-tetrazol-1-ium.
What is the SMILES notation for 1-methyl-1H-tetrazol-1-ium?
The canonical SMILES for 1-methyl-1H-tetrazol-1-ium is C[NH+]1C=NN=N1.
What is the InChIKey of 1-methyl-1H-tetrazol-1-ium?
The InChIKey is OMAFFHIGWTVZOH-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3/p+1.
What are the key properties of 1-methyl-1H-tetrazol-1-ium?
1-methyl-1H-tetrazol-1-ium has a molecular weight of 85.09 g/mol, XLogP of -1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1H-tetrazol-1-ium is sourced from PubChem (CID 152773400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).