7-ethyl-6-methyl-2,3-diphenyl-7,9-dihydroimidazo[1,2-b][1,2,4]triazepin-8-one

C21H20N4O — CID 3546295

IUPAC7-ethyl-6-methyl-2,3-diphenyl-7,9-dihydroimidazo[1,2-b][1,2,4]triazepin-8-one
SMILESCCC1C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)n2N=C1C
InChIInChI=1S/C21H20N4O/c1-3-17-14(2)24-25-19(16-12-8-5-9-13-16)18(15-10-6-4-7-11-15)22-21(25)23-20(17)26/h4-13,17H,3H2,1-2H3,(H,22,23,26)
InChIKeyUWOGKYPYXMSAKD-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.42
Rot. Bonds3

About 7-ethyl-6-methyl-2,3-diphenyl-7,9-dihydroimidazo[1,2-b][1,2,4]triazepin-8-one

7-ethyl-6-methyl-2,3-diphenyl-7,9-dihydroimidazo[1,2-b][1,2,4]triazepin-8-one (PubChem CID 3546295) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 7-ethyl-6-methyl-2,3-diphenyl-7,9-dihydroimidazo[1,2-b][1,2,4]triazepin-8-one.

Molecular Properties

Compound Name7-ethyl-6-methyl-2,3-diphenyl-7,9-dihydroimidazo[1,2-b][1,2,4]triazepin-8-one
PubChem CID3546295
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name7-ethyl-6-methyl-2,3-diphenyl-7,9-dihydroimidazo[1,2-b][1,2,4]triazepin-8-one
SMILESCCC1C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)n2N=C1C
InChIInChI=1S/C21H20N4O/c1-3-17-14(2)24-25-19(16-12-8-5-9-13-16)18(15-10-6-4-7-11-15)22-21(25)23-20(17)26/h4-13,17H,3H2,1-2H3,(H,22,23,26)
InChIKeyUWOGKYPYXMSAKD-UHFFFAOYSA-N
XLogP4.42
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-methyl-2,3-diphenyl-7,9-dihydroimidazo[1,2-b][1,2,4]triazepin-8-one?
The IUPAC name of 7-ethyl-6-methyl-2,3-diphenyl-7,9-dihydroimidazo[1,2-b][1,2,4]triazepin-8-one (CID 3546295) is 7-ethyl-6-methyl-2,3-diphenyl-7,9-dihydroimidazo[1,2-b][1,2,4]triazepin-8-one.
What is the SMILES notation for 7-ethyl-6-methyl-2,3-diphenyl-7,9-dihydroimidazo[1,2-b][1,2,4]triazepin-8-one?
The canonical SMILES for 7-ethyl-6-methyl-2,3-diphenyl-7,9-dihydroimidazo[1,2-b][1,2,4]triazepin-8-one is CCC1C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)n2N=C1C.
What is the InChIKey of 7-ethyl-6-methyl-2,3-diphenyl-7,9-dihydroimidazo[1,2-b][1,2,4]triazepin-8-one?
The InChIKey is UWOGKYPYXMSAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-3-17-14(2)24-25-19(16-12-8-5-9-13-16)18(15-10-6-4-7-11-15)22-21(25)23-20(17)26/h4-13,17H,3H2,1-2H3,(H,22,23,26).
What are the key properties of 7-ethyl-6-methyl-2,3-diphenyl-7,9-dihydroimidazo[1,2-b][1,2,4]triazepin-8-one?
7-ethyl-6-methyl-2,3-diphenyl-7,9-dihydroimidazo[1,2-b][1,2,4]triazepin-8-one has a molecular weight of 344.42 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-methyl-2,3-diphenyl-7,9-dihydroimidazo[1,2-b][1,2,4]triazepin-8-one is sourced from PubChem (CID 3546295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).