2,5-dimethyltetrazole;ethane

C5H12N4 — CID 90989742

IUPAC2,5-dimethyltetrazole;ethane
SMILESCC.Cc1nnn(C)n1
InChIInChI=1S/C3H6N4.C2H6/c1-3-4-6-7(2)5-3;1-2/h1-2H3;1-2H3
InChIKeyNYGZNBVCWHSRED-UHFFFAOYSA-N
MW128.18 g/mol
LogP0.54
Rot. Bonds

About 2,5-dimethyltetrazole;ethane

2,5-dimethyltetrazole;ethane (PubChem CID 90989742) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is 2,5-dimethyltetrazole;ethane.

Molecular Properties

Compound Name2,5-dimethyltetrazole;ethane
PubChem CID90989742
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name2,5-dimethyltetrazole;ethane
SMILESCC.Cc1nnn(C)n1
InChIInChI=1S/C3H6N4.C2H6/c1-3-4-6-7(2)5-3;1-2/h1-2H3;1-2H3
InChIKeyNYGZNBVCWHSRED-UHFFFAOYSA-N
XLogP0.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyltetrazole;ethane?
The IUPAC name of 2,5-dimethyltetrazole;ethane (CID 90989742) is 2,5-dimethyltetrazole;ethane.
What is the SMILES notation for 2,5-dimethyltetrazole;ethane?
The canonical SMILES for 2,5-dimethyltetrazole;ethane is CC.Cc1nnn(C)n1.
What is the InChIKey of 2,5-dimethyltetrazole;ethane?
The InChIKey is NYGZNBVCWHSRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4.C2H6/c1-3-4-6-7(2)5-3;1-2/h1-2H3;1-2H3.
What are the key properties of 2,5-dimethyltetrazole;ethane?
2,5-dimethyltetrazole;ethane has a molecular weight of 128.18 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyltetrazole;ethane is sourced from PubChem (CID 90989742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).