3-pyridin-2-ylphenanthro[9,10-e][1,2,4]triazine

C20H12N4 — CID 6414394

IUPAC3-pyridin-2-ylphenanthro[9,10-e][1,2,4]triazine
SMILESc1ccc(-c2nnc3c4ccccc4c4ccccc4c3n2)nc1
InChIInChI=1S/C20H12N4/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)19-18(15)22-20(24-23-19)17-11-5-6-12-21-17/h1-12H
InChIKeyPUXDCBHUQWIFIH-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.39
Rot. Bonds1

About 3-pyridin-2-ylphenanthro[9,10-e][1,2,4]triazine

3-pyridin-2-ylphenanthro[9,10-e][1,2,4]triazine (PubChem CID 6414394) has the molecular formula C20H12N4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-pyridin-2-ylphenanthro[9,10-e][1,2,4]triazine.

Molecular Properties

Compound Name3-pyridin-2-ylphenanthro[9,10-e][1,2,4]triazine
PubChem CID6414394
Molecular FormulaC20H12N4
Molecular Weight308.34 g/mol
Exact Mass308.11
IUPAC Name3-pyridin-2-ylphenanthro[9,10-e][1,2,4]triazine
SMILESc1ccc(-c2nnc3c4ccccc4c4ccccc4c3n2)nc1
InChIInChI=1S/C20H12N4/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)19-18(15)22-20(24-23-19)17-11-5-6-12-21-17/h1-12H
InChIKeyPUXDCBHUQWIFIH-UHFFFAOYSA-N
XLogP4.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-pyridin-2-ylphenanthro[9,10-e][1,2,4]triazine?
The IUPAC name of 3-pyridin-2-ylphenanthro[9,10-e][1,2,4]triazine (CID 6414394) is 3-pyridin-2-ylphenanthro[9,10-e][1,2,4]triazine.
What is the SMILES notation for 3-pyridin-2-ylphenanthro[9,10-e][1,2,4]triazine?
The canonical SMILES for 3-pyridin-2-ylphenanthro[9,10-e][1,2,4]triazine is c1ccc(-c2nnc3c4ccccc4c4ccccc4c3n2)nc1.
What is the InChIKey of 3-pyridin-2-ylphenanthro[9,10-e][1,2,4]triazine?
The InChIKey is PUXDCBHUQWIFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)19-18(15)22-20(24-23-19)17-11-5-6-12-21-17/h1-12H.
What are the key properties of 3-pyridin-2-ylphenanthro[9,10-e][1,2,4]triazine?
3-pyridin-2-ylphenanthro[9,10-e][1,2,4]triazine has a molecular weight of 308.34 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylphenanthro[9,10-e][1,2,4]triazine is sourced from PubChem (CID 6414394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).