5,7-diethyl-3-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one

C11H18N4O — CID 59872530

IUPAC5,7-diethyl-3-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one
SMILESCCC1C(=O)N(CC)CCc2nnc(C)n21
InChIInChI=1S/C11H18N4O/c1-4-9-11(16)14(5-2)7-6-10-13-12-8(3)15(9)10/h9H,4-7H2,1-3H3
InChIKeyOGFNZLDDDWVOOR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.94
Rot. Bonds2

About 5,7-diethyl-3-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one

5,7-diethyl-3-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one (PubChem CID 59872530) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5,7-diethyl-3-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one.

Molecular Properties

Compound Name5,7-diethyl-3-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one
PubChem CID59872530
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5,7-diethyl-3-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one
SMILESCCC1C(=O)N(CC)CCc2nnc(C)n21
InChIInChI=1S/C11H18N4O/c1-4-9-11(16)14(5-2)7-6-10-13-12-8(3)15(9)10/h9H,4-7H2,1-3H3
InChIKeyOGFNZLDDDWVOOR-UHFFFAOYSA-N
XLogP0.94
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-3-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one?
The IUPAC name of 5,7-diethyl-3-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one (CID 59872530) is 5,7-diethyl-3-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one.
What is the SMILES notation for 5,7-diethyl-3-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one?
The canonical SMILES for 5,7-diethyl-3-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one is CCC1C(=O)N(CC)CCc2nnc(C)n21.
What is the InChIKey of 5,7-diethyl-3-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one?
The InChIKey is OGFNZLDDDWVOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-4-9-11(16)14(5-2)7-6-10-13-12-8(3)15(9)10/h9H,4-7H2,1-3H3.
What are the key properties of 5,7-diethyl-3-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one?
5,7-diethyl-3-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-3-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one is sourced from PubChem (CID 59872530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).