5-phenyl-1-(pyrazol-1-ylmethyl)tetrazole

C11H10N6 — CID 10955256

IUPAC5-phenyl-1-(pyrazol-1-ylmethyl)tetrazole
SMILESc1ccc(-c2nnnn2Cn2cccn2)cc1
InChIInChI=1S/C11H10N6/c1-2-5-10(6-3-1)11-13-14-15-17(11)9-16-8-4-7-12-16/h1-8H,9H2
InChIKeyINWACLDYOPPKGT-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.04
Rot. Bonds3

About 5-phenyl-1-(pyrazol-1-ylmethyl)tetrazole

5-phenyl-1-(pyrazol-1-ylmethyl)tetrazole (PubChem CID 10955256) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-phenyl-1-(pyrazol-1-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-phenyl-1-(pyrazol-1-ylmethyl)tetrazole
PubChem CID10955256
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name5-phenyl-1-(pyrazol-1-ylmethyl)tetrazole
SMILESc1ccc(-c2nnnn2Cn2cccn2)cc1
InChIInChI=1S/C11H10N6/c1-2-5-10(6-3-1)11-13-14-15-17(11)9-16-8-4-7-12-16/h1-8H,9H2
InChIKeyINWACLDYOPPKGT-UHFFFAOYSA-N
XLogP1.04
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-(pyrazol-1-ylmethyl)tetrazole?
The IUPAC name of 5-phenyl-1-(pyrazol-1-ylmethyl)tetrazole (CID 10955256) is 5-phenyl-1-(pyrazol-1-ylmethyl)tetrazole.
What is the SMILES notation for 5-phenyl-1-(pyrazol-1-ylmethyl)tetrazole?
The canonical SMILES for 5-phenyl-1-(pyrazol-1-ylmethyl)tetrazole is c1ccc(-c2nnnn2Cn2cccn2)cc1.
What is the InChIKey of 5-phenyl-1-(pyrazol-1-ylmethyl)tetrazole?
The InChIKey is INWACLDYOPPKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c1-2-5-10(6-3-1)11-13-14-15-17(11)9-16-8-4-7-12-16/h1-8H,9H2.
What are the key properties of 5-phenyl-1-(pyrazol-1-ylmethyl)tetrazole?
5-phenyl-1-(pyrazol-1-ylmethyl)tetrazole has a molecular weight of 226.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-(pyrazol-1-ylmethyl)tetrazole is sourced from PubChem (CID 10955256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).