2H-phenanthro[9,10-d]triazole

C14H9N3 — CID 3849420

IUPAC2H-phenanthro[9,10-d]triazole
SMILESc1ccc2c(c1)c1ccccc1c1n[nH]nc21
InChIInChI=1S/C14H9N3/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13(11)15-17-16-14/h1-8H,(H,15,16,17)
InChIKeyIUUAERVZHMFZKY-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.26
Rot. Bonds

About 2H-phenanthro[9,10-d]triazole

2H-phenanthro[9,10-d]triazole (PubChem CID 3849420) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 2H-phenanthro[9,10-d]triazole.

Molecular Properties

Compound Name2H-phenanthro[9,10-d]triazole
PubChem CID3849420
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name2H-phenanthro[9,10-d]triazole
SMILESc1ccc2c(c1)c1ccccc1c1n[nH]nc21
InChIInChI=1S/C14H9N3/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13(11)15-17-16-14/h1-8H,(H,15,16,17)
InChIKeyIUUAERVZHMFZKY-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2H-phenanthro[9,10-d]triazole?
The IUPAC name of 2H-phenanthro[9,10-d]triazole (CID 3849420) is 2H-phenanthro[9,10-d]triazole.
What is the SMILES notation for 2H-phenanthro[9,10-d]triazole?
The canonical SMILES for 2H-phenanthro[9,10-d]triazole is c1ccc2c(c1)c1ccccc1c1n[nH]nc21.
What is the InChIKey of 2H-phenanthro[9,10-d]triazole?
The InChIKey is IUUAERVZHMFZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13(11)15-17-16-14/h1-8H,(H,15,16,17).
What are the key properties of 2H-phenanthro[9,10-d]triazole?
2H-phenanthro[9,10-d]triazole has a molecular weight of 219.25 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-phenanthro[9,10-d]triazole is sourced from PubChem (CID 3849420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).