1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one

C11H13N3O — CID 79291644

IUPAC1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one
SMILESO=C1CCN(C2CC2)c2ccncc2N1
InChIInChI=1S/C11H13N3O/c15-11-4-6-14(8-1-2-8)10-3-5-12-7-9(10)13-11/h3,5,7-8H,1-2,4,6H2,(H,13,15)
InChIKeyYIJHSYYORAJGGI-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.39
Rot. Bonds1

About 1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one

1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one (PubChem CID 79291644) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one
PubChem CID79291644
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one
SMILESO=C1CCN(C2CC2)c2ccncc2N1
InChIInChI=1S/C11H13N3O/c15-11-4-6-14(8-1-2-8)10-3-5-12-7-9(10)13-11/h3,5,7-8H,1-2,4,6H2,(H,13,15)
InChIKeyYIJHSYYORAJGGI-UHFFFAOYSA-N
XLogP1.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one?
The IUPAC name of 1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one (CID 79291644) is 1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one.
What is the SMILES notation for 1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one?
The canonical SMILES for 1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one is O=C1CCN(C2CC2)c2ccncc2N1.
What is the InChIKey of 1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one?
The InChIKey is YIJHSYYORAJGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c15-11-4-6-14(8-1-2-8)10-3-5-12-7-9(10)13-11/h3,5,7-8H,1-2,4,6H2,(H,13,15).
What are the key properties of 1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one?
1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one has a molecular weight of 203.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one is sourced from PubChem (CID 79291644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).