7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one

C10H11N3O — CID 131275801

IUPAC7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one
SMILESO=C1C=C(c2cccnc2)NCCN1
InChIInChI=1S/C10H11N3O/c14-10-6-9(12-4-5-13-10)8-2-1-3-11-7-8/h1-3,6-7,12H,4-5H2,(H,13,14)
InChIKeyOQRJSODMFGLUHJ-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.14
Rot. Bonds1

About 7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one

7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one (PubChem CID 131275801) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one.

Molecular Properties

Compound Name7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one
PubChem CID131275801
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one
SMILESO=C1C=C(c2cccnc2)NCCN1
InChIInChI=1S/C10H11N3O/c14-10-6-9(12-4-5-13-10)8-2-1-3-11-7-8/h1-3,6-7,12H,4-5H2,(H,13,14)
InChIKeyOQRJSODMFGLUHJ-UHFFFAOYSA-N
XLogP0.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one?
The IUPAC name of 7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one (CID 131275801) is 7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one.
What is the SMILES notation for 7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one?
The canonical SMILES for 7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one is O=C1C=C(c2cccnc2)NCCN1.
What is the InChIKey of 7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one?
The InChIKey is OQRJSODMFGLUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-10-6-9(12-4-5-13-10)8-2-1-3-11-7-8/h1-3,6-7,12H,4-5H2,(H,13,14).
What are the key properties of 7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one?
7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one has a molecular weight of 189.22 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one is sourced from PubChem (CID 131275801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).