1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone

C15H23N5O — CID 107375576

IUPAC1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone
SMILESCCNc1cnc(C(=O)N2CCCN3CCCC3C2)cn1
InChIInChI=1S/C15H23N5O/c1-2-16-14-10-17-13(9-18-14)15(21)20-8-4-7-19-6-3-5-12(19)11-20/h9-10,12H,2-8,11H2,1H3,(H,16,18)
InChIKeyWVHYYJNMPNFZKW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.22
Rot. Bonds3

About 1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone

1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone (PubChem CID 107375576) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone
PubChem CID107375576
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone
SMILESCCNc1cnc(C(=O)N2CCCN3CCCC3C2)cn1
InChIInChI=1S/C15H23N5O/c1-2-16-14-10-17-13(9-18-14)15(21)20-8-4-7-19-6-3-5-12(19)11-20/h9-10,12H,2-8,11H2,1H3,(H,16,18)
InChIKeyWVHYYJNMPNFZKW-UHFFFAOYSA-N
XLogP1.22
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

[5-(ethylamino)pyrazin-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 107374588
[5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107373865
[5-(ethylamino)pyrazin-2-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107376098
[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone
CID 107375687
(3,4-dimethylpiperidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107376989
(3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375674
(2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375601
(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375356
(3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378136
[5-(3-methoxypropylamino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109276272
(3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283932
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone?
The IUPAC name of 1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone (CID 107375576) is 1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for 1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone?
The canonical SMILES for 1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone is CCNc1cnc(C(=O)N2CCCN3CCCC3C2)cn1.
What is the InChIKey of 1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone?
The InChIKey is WVHYYJNMPNFZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-2-16-14-10-17-13(9-18-14)15(21)20-8-4-7-19-6-3-5-12(19)11-20/h9-10,12H,2-8,11H2,1H3,(H,16,18).
What are the key properties of 1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone?
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone has a molecular weight of 289.38 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 107375576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).