phenazine;2H-triazole

C14H11N5 — CID 175243630

IUPACphenazine;2H-triazole
SMILESc1ccc2nc3ccccc3nc2c1.c1cn[nH]n1
InChIInChI=1S/C12H8N2.C2H3N3/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-4-5-3-1/h1-8H;1-2H,(H,3,4,5)
InChIKeyUBUIIISXCVHVOP-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.59
Rot. Bonds

About phenazine;2H-triazole

phenazine;2H-triazole (PubChem CID 175243630) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is phenazine;2H-triazole.

Molecular Properties

Compound Namephenazine;2H-triazole
PubChem CID175243630
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Namephenazine;2H-triazole
SMILESc1ccc2nc3ccccc3nc2c1.c1cn[nH]n1
InChIInChI=1S/C12H8N2.C2H3N3/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-4-5-3-1/h1-8H;1-2H,(H,3,4,5)
InChIKeyUBUIIISXCVHVOP-UHFFFAOYSA-N
XLogP2.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenazine;2H-triazole?
The IUPAC name of phenazine;2H-triazole (CID 175243630) is phenazine;2H-triazole.
What is the SMILES notation for phenazine;2H-triazole?
The canonical SMILES for phenazine;2H-triazole is c1ccc2nc3ccccc3nc2c1.c1cn[nH]n1.
What is the InChIKey of phenazine;2H-triazole?
The InChIKey is UBUIIISXCVHVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C2H3N3/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-4-5-3-1/h1-8H;1-2H,(H,3,4,5).
What are the key properties of phenazine;2H-triazole?
phenazine;2H-triazole has a molecular weight of 249.28 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenazine;2H-triazole is sourced from PubChem (CID 175243630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).