1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine

C20H16N4 — CID 71375396

IUPAC1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine
SMILESCN1C(c2ccccc2)=NN=C(c2ccccc2)c2ncccc21
InChIInChI=1S/C20H16N4/c1-24-17-13-8-14-21-19(17)18(15-9-4-2-5-10-15)22-23-20(24)16-11-6-3-7-12-16/h2-14H,1H3
InChIKeyBBXUERVLUTTZCF-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.73
Rot. Bonds2

About 1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine

1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine (PubChem CID 71375396) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine.

Molecular Properties

Compound Name1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine
PubChem CID71375396
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine
SMILESCN1C(c2ccccc2)=NN=C(c2ccccc2)c2ncccc21
InChIInChI=1S/C20H16N4/c1-24-17-13-8-14-21-19(17)18(15-9-4-2-5-10-15)22-23-20(24)16-11-6-3-7-12-16/h2-14H,1H3
InChIKeyBBXUERVLUTTZCF-UHFFFAOYSA-N
XLogP3.73
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine?
The IUPAC name of 1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine (CID 71375396) is 1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine.
What is the SMILES notation for 1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine?
The canonical SMILES for 1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine is CN1C(c2ccccc2)=NN=C(c2ccccc2)c2ncccc21.
What is the InChIKey of 1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine?
The InChIKey is BBXUERVLUTTZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-24-17-13-8-14-21-19(17)18(15-9-4-2-5-10-15)22-23-20(24)16-11-6-3-7-12-16/h2-14H,1H3.
What are the key properties of 1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine?
1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine has a molecular weight of 312.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine is sourced from PubChem (CID 71375396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).