2H-benzotriazole;praseodymium

C6H5N3Pr — CID 160995657

IUPAC2H-benzotriazole;praseodymium
SMILES[Pr].c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.Pr/c1-2-4-6-5(3-1)7-9-8-6;/h1-4H,(H,7,8,9);
InChIKeyTVFDTOCIEHYKRX-UHFFFAOYSA-N
MW260.04 g/mol
LogP0.96
Rot. Bonds

About 2H-benzotriazole;praseodymium

2H-benzotriazole;praseodymium (PubChem CID 160995657) has the molecular formula C6H5N3Pr and a molecular weight of 260.04 g/mol. Its IUPAC name is 2H-benzotriazole;praseodymium.

Molecular Properties

Compound Name2H-benzotriazole;praseodymium
PubChem CID160995657
Molecular FormulaC6H5N3Pr
Molecular Weight260.04 g/mol
Exact Mass259.96
IUPAC Name2H-benzotriazole;praseodymium
SMILES[Pr].c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.Pr/c1-2-4-6-5(3-1)7-9-8-6;/h1-4H,(H,7,8,9);
InChIKeyTVFDTOCIEHYKRX-UHFFFAOYSA-N
XLogP0.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazole;praseodymium?
The IUPAC name of 2H-benzotriazole;praseodymium (CID 160995657) is 2H-benzotriazole;praseodymium.
What is the SMILES notation for 2H-benzotriazole;praseodymium?
The canonical SMILES for 2H-benzotriazole;praseodymium is [Pr].c1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazole;praseodymium?
The InChIKey is TVFDTOCIEHYKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.Pr/c1-2-4-6-5(3-1)7-9-8-6;/h1-4H,(H,7,8,9);.
What are the key properties of 2H-benzotriazole;praseodymium?
2H-benzotriazole;praseodymium has a molecular weight of 260.04 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;praseodymium is sourced from PubChem (CID 160995657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).