2,5-diphenyl-3H-pyrido[3,2-e][1,2,4]triazepine

C19H14N4 — CID 135472716

IUPAC2,5-diphenyl-3H-pyrido[3,2-e][1,2,4]triazepine
SMILESc1ccc(C2=Nc3cccnc3C(c3ccccc3)=NN2)cc1
InChIInChI=1S/C19H14N4/c1-3-8-14(9-4-1)17-18-16(12-7-13-20-18)21-19(23-22-17)15-10-5-2-6-11-15/h1-13H,(H,21,23)
InChIKeySQXRRTYAKPUDDX-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.52
Rot. Bonds2

About 2,5-diphenyl-3H-pyrido[3,2-e][1,2,4]triazepine

2,5-diphenyl-3H-pyrido[3,2-e][1,2,4]triazepine (PubChem CID 135472716) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2,5-diphenyl-3H-pyrido[3,2-e][1,2,4]triazepine.

Molecular Properties

Compound Name2,5-diphenyl-3H-pyrido[3,2-e][1,2,4]triazepine
PubChem CID135472716
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name2,5-diphenyl-3H-pyrido[3,2-e][1,2,4]triazepine
SMILESc1ccc(C2=Nc3cccnc3C(c3ccccc3)=NN2)cc1
InChIInChI=1S/C19H14N4/c1-3-8-14(9-4-1)17-18-16(12-7-13-20-18)21-19(23-22-17)15-10-5-2-6-11-15/h1-13H,(H,21,23)
InChIKeySQXRRTYAKPUDDX-UHFFFAOYSA-N
XLogP3.52
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-3H-pyrido[3,2-e][1,2,4]triazepine?
The IUPAC name of 2,5-diphenyl-3H-pyrido[3,2-e][1,2,4]triazepine (CID 135472716) is 2,5-diphenyl-3H-pyrido[3,2-e][1,2,4]triazepine.
What is the SMILES notation for 2,5-diphenyl-3H-pyrido[3,2-e][1,2,4]triazepine?
The canonical SMILES for 2,5-diphenyl-3H-pyrido[3,2-e][1,2,4]triazepine is c1ccc(C2=Nc3cccnc3C(c3ccccc3)=NN2)cc1.
What is the InChIKey of 2,5-diphenyl-3H-pyrido[3,2-e][1,2,4]triazepine?
The InChIKey is SQXRRTYAKPUDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4/c1-3-8-14(9-4-1)17-18-16(12-7-13-20-18)21-19(23-22-17)15-10-5-2-6-11-15/h1-13H,(H,21,23).
What are the key properties of 2,5-diphenyl-3H-pyrido[3,2-e][1,2,4]triazepine?
2,5-diphenyl-3H-pyrido[3,2-e][1,2,4]triazepine has a molecular weight of 298.35 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-3H-pyrido[3,2-e][1,2,4]triazepine is sourced from PubChem (CID 135472716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).