2-(triazol-2-yl)-1,10-phenanthroline

C14H9N5 — CID 70653379

IUPAC2-(triazol-2-yl)-1,10-phenanthroline
SMILESc1cnc2c(c1)ccc1ccc(-n3nccn3)nc12
InChIInChI=1S/C14H9N5/c1-2-10-3-4-11-5-6-12(19-16-8-9-17-19)18-14(11)13(10)15-7-1/h1-9H
InChIKeyXONCFXQCOPDXCH-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.36
Rot. Bonds1

About 2-(triazol-2-yl)-1,10-phenanthroline

2-(triazol-2-yl)-1,10-phenanthroline (PubChem CID 70653379) has the molecular formula C14H9N5 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(triazol-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(triazol-2-yl)-1,10-phenanthroline
PubChem CID70653379
Molecular FormulaC14H9N5
Molecular Weight247.26 g/mol
Exact Mass247.09
IUPAC Name2-(triazol-2-yl)-1,10-phenanthroline
SMILESc1cnc2c(c1)ccc1ccc(-n3nccn3)nc12
InChIInChI=1S/C14H9N5/c1-2-10-3-4-11-5-6-12(19-16-8-9-17-19)18-14(11)13(10)15-7-1/h1-9H
InChIKeyXONCFXQCOPDXCH-UHFFFAOYSA-N
XLogP2.36
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(triazol-2-yl)-1,10-phenanthroline?
The IUPAC name of 2-(triazol-2-yl)-1,10-phenanthroline (CID 70653379) is 2-(triazol-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(triazol-2-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(triazol-2-yl)-1,10-phenanthroline is c1cnc2c(c1)ccc1ccc(-n3nccn3)nc12.
What is the InChIKey of 2-(triazol-2-yl)-1,10-phenanthroline?
The InChIKey is XONCFXQCOPDXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5/c1-2-10-3-4-11-5-6-12(19-16-8-9-17-19)18-14(11)13(10)15-7-1/h1-9H.
What are the key properties of 2-(triazol-2-yl)-1,10-phenanthroline?
2-(triazol-2-yl)-1,10-phenanthroline has a molecular weight of 247.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 70653379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).