1-ethyl-3-phenyl-4H-[1,2,4]triazino[4,3-a]benzimidazole

C17H16N4 — CID 3537199

IUPAC1-ethyl-3-phenyl-4H-[1,2,4]triazino[4,3-a]benzimidazole
SMILESCCN1N=C(c2ccccc2)Cn2c1nc1ccccc12
InChIInChI=1S/C17H16N4/c1-2-21-17-18-14-10-6-7-11-16(14)20(17)12-15(19-21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyUKFYAOLFCMWYQE-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.28
Rot. Bonds2

About 1-ethyl-3-phenyl-4H-[1,2,4]triazino[4,3-a]benzimidazole

1-ethyl-3-phenyl-4H-[1,2,4]triazino[4,3-a]benzimidazole (PubChem CID 3537199) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-ethyl-3-phenyl-4H-[1,2,4]triazino[4,3-a]benzimidazole.

Molecular Properties

Compound Name1-ethyl-3-phenyl-4H-[1,2,4]triazino[4,3-a]benzimidazole
PubChem CID3537199
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name1-ethyl-3-phenyl-4H-[1,2,4]triazino[4,3-a]benzimidazole
SMILESCCN1N=C(c2ccccc2)Cn2c1nc1ccccc12
InChIInChI=1S/C17H16N4/c1-2-21-17-18-14-10-6-7-11-16(14)20(17)12-15(19-21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyUKFYAOLFCMWYQE-UHFFFAOYSA-N
XLogP3.28
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenyl-4H-[1,2,4]triazino[4,3-a]benzimidazole?
The IUPAC name of 1-ethyl-3-phenyl-4H-[1,2,4]triazino[4,3-a]benzimidazole (CID 3537199) is 1-ethyl-3-phenyl-4H-[1,2,4]triazino[4,3-a]benzimidazole.
What is the SMILES notation for 1-ethyl-3-phenyl-4H-[1,2,4]triazino[4,3-a]benzimidazole?
The canonical SMILES for 1-ethyl-3-phenyl-4H-[1,2,4]triazino[4,3-a]benzimidazole is CCN1N=C(c2ccccc2)Cn2c1nc1ccccc12.
What is the InChIKey of 1-ethyl-3-phenyl-4H-[1,2,4]triazino[4,3-a]benzimidazole?
The InChIKey is UKFYAOLFCMWYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-2-21-17-18-14-10-6-7-11-16(14)20(17)12-15(19-21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of 1-ethyl-3-phenyl-4H-[1,2,4]triazino[4,3-a]benzimidazole?
1-ethyl-3-phenyl-4H-[1,2,4]triazino[4,3-a]benzimidazole has a molecular weight of 276.34 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenyl-4H-[1,2,4]triazino[4,3-a]benzimidazole is sourced from PubChem (CID 3537199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).