5-imidazol-1-yltetrazolo[1,5-a]pyrazine

C7H5N7 — CID 63811479

IUPAC5-imidazol-1-yltetrazolo[1,5-a]pyrazine
SMILESc1cn(-c2cncc3nnnn23)cn1
InChIInChI=1S/C7H5N7/c1-2-13(5-8-1)7-4-9-3-6-10-11-12-14(6)7/h1-5H
InChIKeyOXIWWRCPILRJPH-UHFFFAOYSA-N
MW187.17 g/mol
LogP-0.29
Rot. Bonds1

About 5-imidazol-1-yltetrazolo[1,5-a]pyrazine

5-imidazol-1-yltetrazolo[1,5-a]pyrazine (PubChem CID 63811479) has the molecular formula C7H5N7 and a molecular weight of 187.17 g/mol. Its IUPAC name is 5-imidazol-1-yltetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-imidazol-1-yltetrazolo[1,5-a]pyrazine
PubChem CID63811479
Molecular FormulaC7H5N7
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Name5-imidazol-1-yltetrazolo[1,5-a]pyrazine
SMILESc1cn(-c2cncc3nnnn23)cn1
InChIInChI=1S/C7H5N7/c1-2-13(5-8-1)7-4-9-3-6-10-11-12-14(6)7/h1-5H
InChIKeyOXIWWRCPILRJPH-UHFFFAOYSA-N
XLogP-0.29
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yltetrazolo[1,5-a]pyrazine?
The IUPAC name of 5-imidazol-1-yltetrazolo[1,5-a]pyrazine (CID 63811479) is 5-imidazol-1-yltetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-imidazol-1-yltetrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-imidazol-1-yltetrazolo[1,5-a]pyrazine is c1cn(-c2cncc3nnnn23)cn1.
What is the InChIKey of 5-imidazol-1-yltetrazolo[1,5-a]pyrazine?
The InChIKey is OXIWWRCPILRJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N7/c1-2-13(5-8-1)7-4-9-3-6-10-11-12-14(6)7/h1-5H.
What are the key properties of 5-imidazol-1-yltetrazolo[1,5-a]pyrazine?
5-imidazol-1-yltetrazolo[1,5-a]pyrazine has a molecular weight of 187.17 g/mol, XLogP of -0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yltetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 63811479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).