tert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C12H22N4O3 — CID 103397935

IUPACtert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCCC(N)=O)C1
InChIInChI=1S/C12H22N4O3/c1-12(2,3)19-11(18)16-7-6-15-10(8-16)14-5-4-9(13)17/h4-8H2,1-3H3,(H2,13,17)(H,14,15)
InChIKeyIXNIQWBJIASCMP-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.10
Rot. Bonds3

About tert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397935) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397935
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Nametert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCCC(N)=O)C1
InChIInChI=1S/C12H22N4O3/c1-12(2,3)19-11(18)16-7-6-15-10(8-16)14-5-4-9(13)17/h4-8H2,1-3H3,(H2,13,17)(H,14,15)
InChIKeyIXNIQWBJIASCMP-UHFFFAOYSA-N
XLogP0.10
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate 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

tert-butyl N-(2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)-N-methylcarbamate
CID 132343787
tert-butyl 6-(2-fluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 130504171
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate
CID 136762902
tert-butyl N-[3-(ethanimidoylamino)-3-oxopropyl]carbamate
CID 142039027
tert-butyl N-[3-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl-[3-(methylamino)propyl]amino]-3-oxopropyl]carbamate
CID 156662442
tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397845
tert-butyl 6-(propan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397846
tert-butyl 6-(butan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397849
tert-butyl 6-(2-methylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397851
tert-butyl 6-(pentan-3-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397853
tert-butyl 6-[2-(dimethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397855
tert-butyl 6-(ethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397856

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397935) is tert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NCCC(N)=O)C1.
What is the InChIKey of tert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is IXNIQWBJIASCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-12(2,3)19-11(18)16-7-6-15-10(8-16)14-5-4-9(13)17/h4-8H2,1-3H3,(H2,13,17)(H,14,15).
What are the key properties of tert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).