1,5-dimethyltetrazole;hydrofluoride

C3H7FN4 — CID 153359282

IUPAC1,5-dimethyltetrazole;hydrofluoride
SMILESCc1nnnn1C.F
InChIInChI=1S/C3H6N4.FH/c1-3-4-5-6-7(3)2;/h1-2H3;1H
InChIKeyXFJKZUFPMCHBDN-UHFFFAOYSA-N
MW118.11 g/mol
LogP-0.33
Rot. Bonds

About 1,5-dimethyltetrazole;hydrofluoride

1,5-dimethyltetrazole;hydrofluoride (PubChem CID 153359282) has the molecular formula C3H7FN4 and a molecular weight of 118.11 g/mol. Its IUPAC name is 1,5-dimethyltetrazole;hydrofluoride.

Molecular Properties

Compound Name1,5-dimethyltetrazole;hydrofluoride
PubChem CID153359282
Molecular FormulaC3H7FN4
Molecular Weight118.11 g/mol
Exact Mass118.07
IUPAC Name1,5-dimethyltetrazole;hydrofluoride
SMILESCc1nnnn1C.F
InChIInChI=1S/C3H6N4.FH/c1-3-4-5-6-7(3)2;/h1-2H3;1H
InChIKeyXFJKZUFPMCHBDN-UHFFFAOYSA-N
XLogP-0.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,5-dimethyltetrazole;hydrofluoride 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 1,5-dimethyltetrazole;hydrofluoride?
The IUPAC name of 1,5-dimethyltetrazole;hydrofluoride (CID 153359282) is 1,5-dimethyltetrazole;hydrofluoride.
What is the SMILES notation for 1,5-dimethyltetrazole;hydrofluoride?
The canonical SMILES for 1,5-dimethyltetrazole;hydrofluoride is Cc1nnnn1C.F.
What is the InChIKey of 1,5-dimethyltetrazole;hydrofluoride?
The InChIKey is XFJKZUFPMCHBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4.FH/c1-3-4-5-6-7(3)2;/h1-2H3;1H.
What are the key properties of 1,5-dimethyltetrazole;hydrofluoride?
1,5-dimethyltetrazole;hydrofluoride has a molecular weight of 118.11 g/mol, XLogP of -0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyltetrazole;hydrofluoride is sourced from PubChem (CID 153359282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).