2-(1,2,4-triazol-1-yl)-1,10-phenanthroline

C14H9N5 — CID 91056975

IUPAC2-(1,2,4-triazol-1-yl)-1,10-phenanthroline
SMILESc1cnc2c(c1)ccc1ccc(-n3cncn3)nc12
InChIInChI=1S/C14H9N5/c1-2-10-3-4-11-5-6-12(19-9-15-8-17-19)18-14(11)13(10)16-7-1/h1-9H
InChIKeyKBWKDODUAKAWBF-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.36
Rot. Bonds1

About 2-(1,2,4-triazol-1-yl)-1,10-phenanthroline

2-(1,2,4-triazol-1-yl)-1,10-phenanthroline (PubChem CID 91056975) has the molecular formula C14H9N5 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)-1,10-phenanthroline
PubChem CID91056975
Molecular FormulaC14H9N5
Molecular Weight247.26 g/mol
Exact Mass247.09
IUPAC Name2-(1,2,4-triazol-1-yl)-1,10-phenanthroline
SMILESc1cnc2c(c1)ccc1ccc(-n3cncn3)nc12
InChIInChI=1S/C14H9N5/c1-2-10-3-4-11-5-6-12(19-9-15-8-17-19)18-14(11)13(10)16-7-1/h1-9H
InChIKeyKBWKDODUAKAWBF-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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Related Compounds

2-(triazol-2-yl)-1,10-phenanthroline
CID 70653379
1-(1,10-phenanthrolin-2-yl)pyrazole-4-carbonitrile
CID 70653467
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
2-(benzimidazol-1-yl)-1,10-phenanthroline
CID 90688679
pyrido[3,2-h]quinazoline
CID 55297723
5-(1,2,4-triazol-1-yl)quinolin-8-amine
CID 43449577
1,3-oxazole;1,10-phenanthroline;pyrazine
CID 174721121
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)-1,10-phenanthroline?
The IUPAC name of 2-(1,2,4-triazol-1-yl)-1,10-phenanthroline (CID 91056975) is 2-(1,2,4-triazol-1-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)-1,10-phenanthroline is c1cnc2c(c1)ccc1ccc(-n3cncn3)nc12.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)-1,10-phenanthroline?
The InChIKey is KBWKDODUAKAWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5/c1-2-10-3-4-11-5-6-12(19-9-15-8-17-19)18-14(11)13(10)16-7-1/h1-9H.
What are the key properties of 2-(1,2,4-triazol-1-yl)-1,10-phenanthroline?
2-(1,2,4-triazol-1-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-(1,2,4-triazol-1-yl)-1,10-phenanthroline is sourced from PubChem (CID 91056975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).