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

C5H6N10O — CID 139076655

IUPAC5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole;hydrate
SMILESO.c1nc(-c2nn[nH]n2)c(-c2nn[nH]n2)[nH]1
InChIInChI=1S/C5H4N10.H2O/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);1H2
InChIKeyRFQAMVKOAMLXNQ-UHFFFAOYSA-N
MW222.17 g/mol
LogP-2.05
Rot. Bonds2

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

5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole;hydrate (PubChem CID 139076655) has the molecular formula C5H6N10O and a molecular weight of 222.17 g/mol. Its IUPAC name is 5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole;hydrate.

Molecular Properties

Compound Name5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole;hydrate
PubChem CID139076655
Molecular FormulaC5H6N10O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole;hydrate
SMILESO.c1nc(-c2nn[nH]n2)c(-c2nn[nH]n2)[nH]1
InChIInChI=1S/C5H4N10.H2O/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);1H2
InChIKeyRFQAMVKOAMLXNQ-UHFFFAOYSA-N
XLogP-2.05
TPSA169.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 5-2.05
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;hydrate?
The IUPAC name of 5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole;hydrate (CID 139076655) is 5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole;hydrate.
What is the SMILES notation for 5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole;hydrate?
The canonical SMILES for 5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole;hydrate is O.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;hydrate?
The InChIKey is RFQAMVKOAMLXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N10.H2O/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);1H2.
What are the key properties of 5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole;hydrate?
5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole;hydrate has a molecular weight of 222.17 g/mol, XLogP of -2.05, 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;hydrate is sourced from PubChem (CID 139076655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).