2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole

C4H6N8 — CID 107044018

IUPAC2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole
SMILESCn1nnc(Cc2nn[nH]n2)n1
InChIInChI=1S/C4H6N8/c1-12-8-4(7-11-12)2-3-5-9-10-6-3/h2H2,1H3,(H,5,6,9,10)
InChIKeyHKJZFPLBSQYAAT-UHFFFAOYSA-N
MW166.15 g/mol
LogP-1.69
Rot. Bonds2

About 2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole

2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole (PubChem CID 107044018) has the molecular formula C4H6N8 and a molecular weight of 166.15 g/mol. Its IUPAC name is 2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole.

Molecular Properties

Compound Name2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole
PubChem CID107044018
Molecular FormulaC4H6N8
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole
SMILESCn1nnc(Cc2nn[nH]n2)n1
InChIInChI=1S/C4H6N8/c1-12-8-4(7-11-12)2-3-5-9-10-6-3/h2H2,1H3,(H,5,6,9,10)
InChIKeyHKJZFPLBSQYAAT-UHFFFAOYSA-N
XLogP-1.69
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole?
The IUPAC name of 2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole (CID 107044018) is 2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole.
What is the SMILES notation for 2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole?
The canonical SMILES for 2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole is Cn1nnc(Cc2nn[nH]n2)n1.
What is the InChIKey of 2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole?
The InChIKey is HKJZFPLBSQYAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N8/c1-12-8-4(7-11-12)2-3-5-9-10-6-3/h2H2,1H3,(H,5,6,9,10).
What are the key properties of 2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole?
2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole has a molecular weight of 166.15 g/mol, XLogP of -1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole is sourced from PubChem (CID 107044018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).