10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one

C12H19N3O — CID 82392331

IUPAC10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one
SMILESCC(C)c1cc(=O)n2c(c1N)NCCCC2
InChIInChI=1S/C12H19N3O/c1-8(2)9-7-10(16)15-6-4-3-5-14-12(15)11(9)13/h7-8,14H,3-6,13H2,1-2H3
InChIKeyMQIBEADSOXDYCO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.76
Rot. Bonds1

About 10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one

10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one (PubChem CID 82392331) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one.

Molecular Properties

Compound Name10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one
PubChem CID82392331
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one
SMILESCC(C)c1cc(=O)n2c(c1N)NCCCC2
InChIInChI=1S/C12H19N3O/c1-8(2)9-7-10(16)15-6-4-3-5-14-12(15)11(9)13/h7-8,14H,3-6,13H2,1-2H3
InChIKeyMQIBEADSOXDYCO-UHFFFAOYSA-N
XLogP1.76
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-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 10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one?
The IUPAC name of 10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one (CID 82392331) is 10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one.
What is the SMILES notation for 10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one?
The canonical SMILES for 10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one is CC(C)c1cc(=O)n2c(c1N)NCCCC2.
What is the InChIKey of 10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one?
The InChIKey is MQIBEADSOXDYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)9-7-10(16)15-6-4-3-5-14-12(15)11(9)13/h7-8,14H,3-6,13H2,1-2H3.
What are the key properties of 10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one?
10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one has a molecular weight of 221.30 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one is sourced from PubChem (CID 82392331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).