10-amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one

C12H19N3O — CID 82392330

IUPAC10-amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one
SMILESCCc1cc(=O)n2c(c1N)N(C)CCCC2
InChIInChI=1S/C12H19N3O/c1-3-9-8-10(16)15-7-5-4-6-14(2)12(15)11(9)13/h8H,3-7,13H2,1-2H3
InChIKeyMWQUWOXVYDHQSL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.22
Rot. Bonds1

About 10-amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one

10-amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one (PubChem CID 82392330) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 10-amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one.

Molecular Properties

Compound Name10-amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one
PubChem CID82392330
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name10-amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one
SMILESCCc1cc(=O)n2c(c1N)N(C)CCCC2
InChIInChI=1S/C12H19N3O/c1-3-9-8-10(16)15-7-5-4-6-14(2)12(15)11(9)13/h8H,3-7,13H2,1-2H3
InChIKeyMWQUWOXVYDHQSL-UHFFFAOYSA-N
XLogP1.22
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one?
The IUPAC name of 10-amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one (CID 82392330) is 10-amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one.
What is the SMILES notation for 10-amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one?
The canonical SMILES for 10-amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one is CCc1cc(=O)n2c(c1N)N(C)CCCC2.
What is the InChIKey of 10-amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one?
The InChIKey is MWQUWOXVYDHQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-9-8-10(16)15-7-5-4-6-14(2)12(15)11(9)13/h8H,3-7,13H2,1-2H3.
What are the key properties of 10-amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one?
10-amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one has a molecular weight of 221.30 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one is sourced from PubChem (CID 82392330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).