1-phenylpentazole

C6H5N5 — CID 71361153

IUPAC1-phenylpentazole
SMILESc1ccc(-n2nnnn2)cc1
InChIInChI=1S/C6H5N5/c1-2-4-6(5-3-1)11-9-7-8-10-11/h1-5H
InChIKeyKMRDNOKWDDOCNT-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.06
Rot. Bonds1

About 1-phenylpentazole

1-phenylpentazole (PubChem CID 71361153) has the molecular formula C6H5N5 and a molecular weight of 147.14 g/mol. Its IUPAC name is 1-phenylpentazole.

Molecular Properties

Compound Name1-phenylpentazole
PubChem CID71361153
Molecular FormulaC6H5N5
Molecular Weight147.14 g/mol
Exact Mass147.05
IUPAC Name1-phenylpentazole
SMILESc1ccc(-n2nnnn2)cc1
InChIInChI=1S/C6H5N5/c1-2-4-6(5-3-1)11-9-7-8-10-11/h1-5H
InChIKeyKMRDNOKWDDOCNT-UHFFFAOYSA-N
XLogP0.06
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpentazole?
The IUPAC name of 1-phenylpentazole (CID 71361153) is 1-phenylpentazole.
What is the SMILES notation for 1-phenylpentazole?
The canonical SMILES for 1-phenylpentazole is c1ccc(-n2nnnn2)cc1.
What is the InChIKey of 1-phenylpentazole?
The InChIKey is KMRDNOKWDDOCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5/c1-2-4-6(5-3-1)11-9-7-8-10-11/h1-5H.
What are the key properties of 1-phenylpentazole?
1-phenylpentazole has a molecular weight of 147.14 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpentazole is sourced from PubChem (CID 71361153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).