pyrido[3,2-e][1,4]diazepin-7-one

C8H5N3O — CID 152513163

IUPACpyrido[3,2-e][1,4]diazepin-7-one
SMILESO=c1ccc2nccncc-2n1
InChIInChI=1S/C8H5N3O/c12-8-2-1-6-7(11-8)5-9-3-4-10-6/h1-5H
InChIKeyYFYFDDRLSHMVFY-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.34
Rot. Bonds

About pyrido[3,2-e][1,4]diazepin-7-one

pyrido[3,2-e][1,4]diazepin-7-one (PubChem CID 152513163) has the molecular formula C8H5N3O and a molecular weight of 159.15 g/mol. Its IUPAC name is pyrido[3,2-e][1,4]diazepin-7-one.

Molecular Properties

Compound Namepyrido[3,2-e][1,4]diazepin-7-one
PubChem CID152513163
Molecular FormulaC8H5N3O
Molecular Weight159.15 g/mol
Exact Mass159.04
IUPAC Namepyrido[3,2-e][1,4]diazepin-7-one
SMILESO=c1ccc2nccncc-2n1
InChIInChI=1S/C8H5N3O/c12-8-2-1-6-7(11-8)5-9-3-4-10-6/h1-5H
InChIKeyYFYFDDRLSHMVFY-UHFFFAOYSA-N
XLogP0.34
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrido[3,2-e][1,4]diazepin-7-one?
The IUPAC name of pyrido[3,2-e][1,4]diazepin-7-one (CID 152513163) is pyrido[3,2-e][1,4]diazepin-7-one.
What is the SMILES notation for pyrido[3,2-e][1,4]diazepin-7-one?
The canonical SMILES for pyrido[3,2-e][1,4]diazepin-7-one is O=c1ccc2nccncc-2n1.
What is the InChIKey of pyrido[3,2-e][1,4]diazepin-7-one?
The InChIKey is YFYFDDRLSHMVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O/c12-8-2-1-6-7(11-8)5-9-3-4-10-6/h1-5H.
What are the key properties of pyrido[3,2-e][1,4]diazepin-7-one?
pyrido[3,2-e][1,4]diazepin-7-one has a molecular weight of 159.15 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[3,2-e][1,4]diazepin-7-one is sourced from PubChem (CID 152513163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).