5-imidazol-1-yl-1-phenyltetrazole

C10H8N6 — CID 690672

IUPAC5-imidazol-1-yl-1-phenyltetrazole
SMILESc1ccc(-n2nnnc2-n2ccnc2)cc1
InChIInChI=1S/C10H8N6/c1-2-4-9(5-3-1)16-10(12-13-14-16)15-7-6-11-8-15/h1-8H
InChIKeyPDTZRSISYPNVNM-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.85
Rot. Bonds2

About 5-imidazol-1-yl-1-phenyltetrazole

5-imidazol-1-yl-1-phenyltetrazole (PubChem CID 690672) has the molecular formula C10H8N6 and a molecular weight of 212.22 g/mol. Its IUPAC name is 5-imidazol-1-yl-1-phenyltetrazole.

Molecular Properties

Compound Name5-imidazol-1-yl-1-phenyltetrazole
PubChem CID690672
Molecular FormulaC10H8N6
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name5-imidazol-1-yl-1-phenyltetrazole
SMILESc1ccc(-n2nnnc2-n2ccnc2)cc1
InChIInChI=1S/C10H8N6/c1-2-4-9(5-3-1)16-10(12-13-14-16)15-7-6-11-8-15/h1-8H
InChIKeyPDTZRSISYPNVNM-UHFFFAOYSA-N
XLogP0.85
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-1-phenyltetrazole?
The IUPAC name of 5-imidazol-1-yl-1-phenyltetrazole (CID 690672) is 5-imidazol-1-yl-1-phenyltetrazole.
What is the SMILES notation for 5-imidazol-1-yl-1-phenyltetrazole?
The canonical SMILES for 5-imidazol-1-yl-1-phenyltetrazole is c1ccc(-n2nnnc2-n2ccnc2)cc1.
What is the InChIKey of 5-imidazol-1-yl-1-phenyltetrazole?
The InChIKey is PDTZRSISYPNVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6/c1-2-4-9(5-3-1)16-10(12-13-14-16)15-7-6-11-8-15/h1-8H.
What are the key properties of 5-imidazol-1-yl-1-phenyltetrazole?
5-imidazol-1-yl-1-phenyltetrazole has a molecular weight of 212.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-1-phenyltetrazole is sourced from PubChem (CID 690672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).