1-(2H-tetrazol-5-ylmethyl)tetrazole

C3H4N8 — CID 14415266

IUPAC1-(2H-tetrazol-5-ylmethyl)tetrazole
SMILESc1nnnn1Cc1nn[nH]n1
InChIInChI=1S/C3H4N8/c1(3-5-8-9-6-3)11-2-4-7-10-11/h2H,1H2,(H,5,6,8,9)
InChIKeyUISHJVRSZMVTTC-UHFFFAOYSA-N
MW152.12 g/mol
LogP-1.77
Rot. Bonds2

About 1-(2H-tetrazol-5-ylmethyl)tetrazole

1-(2H-tetrazol-5-ylmethyl)tetrazole (PubChem CID 14415266) has the molecular formula C3H4N8 and a molecular weight of 152.12 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-ylmethyl)tetrazole.

Molecular Properties

Compound Name1-(2H-tetrazol-5-ylmethyl)tetrazole
PubChem CID14415266
Molecular FormulaC3H4N8
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name1-(2H-tetrazol-5-ylmethyl)tetrazole
SMILESc1nnnn1Cc1nn[nH]n1
InChIInChI=1S/C3H4N8/c1(3-5-8-9-6-3)11-2-4-7-10-11/h2H,1H2,(H,5,6,8,9)
InChIKeyUISHJVRSZMVTTC-UHFFFAOYSA-N
XLogP-1.77
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 5-1.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2H-tetrazol-5-ylmethyl)tetrazole 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-(2H-tetrazol-5-ylmethyl)tetrazole?
The IUPAC name of 1-(2H-tetrazol-5-ylmethyl)tetrazole (CID 14415266) is 1-(2H-tetrazol-5-ylmethyl)tetrazole.
What is the SMILES notation for 1-(2H-tetrazol-5-ylmethyl)tetrazole?
The canonical SMILES for 1-(2H-tetrazol-5-ylmethyl)tetrazole is c1nnnn1Cc1nn[nH]n1.
What is the InChIKey of 1-(2H-tetrazol-5-ylmethyl)tetrazole?
The InChIKey is UISHJVRSZMVTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N8/c1(3-5-8-9-6-3)11-2-4-7-10-11/h2H,1H2,(H,5,6,8,9).
What are the key properties of 1-(2H-tetrazol-5-ylmethyl)tetrazole?
1-(2H-tetrazol-5-ylmethyl)tetrazole has a molecular weight of 152.12 g/mol, XLogP of -1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-ylmethyl)tetrazole is sourced from PubChem (CID 14415266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).