5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole

C5H4N10 — CID 136803971

IUPAC5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole
SMILESc1nc(-c2nn[nH]n2)c(-c2nn[nH]n2)[nH]1
InChIInChI=1S/C5H4N10/c1-6-2(4-8-12-13-9-4)3(7-1)5-10-14-15-11-5/h1H,(H,6,7)(H,8,9,12,13)(H,10,11,14,15)
InChIKeyITKMPNVSLUQYDD-UHFFFAOYSA-N
MW204.16 g/mol
LogP-1.23
Rot. Bonds2

About 5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole

5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole (PubChem CID 136803971) has the molecular formula C5H4N10 and a molecular weight of 204.16 g/mol. Its IUPAC name is 5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole
PubChem CID136803971
Molecular FormulaC5H4N10
Molecular Weight204.16 g/mol
Exact Mass204.06
IUPAC Name5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole
SMILESc1nc(-c2nn[nH]n2)c(-c2nn[nH]n2)[nH]1
InChIInChI=1S/C5H4N10/c1-6-2(4-8-12-13-9-4)3(7-1)5-10-14-15-11-5/h1H,(H,6,7)(H,8,9,12,13)(H,10,11,14,15)
InChIKeyITKMPNVSLUQYDD-UHFFFAOYSA-N
XLogP-1.23
TPSA137.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole?
The IUPAC name of 5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole (CID 136803971) is 5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole.
What is the SMILES notation for 5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole?
The canonical SMILES for 5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole is c1nc(-c2nn[nH]n2)c(-c2nn[nH]n2)[nH]1.
What is the InChIKey of 5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole?
The InChIKey is ITKMPNVSLUQYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N10/c1-6-2(4-8-12-13-9-4)3(7-1)5-10-14-15-11-5/h1H,(H,6,7)(H,8,9,12,13)(H,10,11,14,15).
What are the key properties of 5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole?
5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole has a molecular weight of 204.16 g/mol, XLogP of -1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole is sourced from PubChem (CID 136803971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).