tert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate

C15H27N5O2 — CID 70866227

IUPACtert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate
SMILESCN(C)C1=CN=C(N2CCN(C(=O)OC(C)(C)C)CC2)CN1
InChIInChI=1S/C15H27N5O2/c1-15(2,3)22-14(21)20-8-6-19(7-9-20)13-11-16-12(10-17-13)18(4)5/h10,16H,6-9,11H2,1-5H3
InChIKeyZMCNJGBFYKOURP-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.90
Rot. Bonds1

About tert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate

tert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate (PubChem CID 70866227) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate
PubChem CID70866227
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Nametert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate
SMILESCN(C)C1=CN=C(N2CCN(C(=O)OC(C)(C)C)CC2)CN1
InChIInChI=1S/C15H27N5O2/c1-15(2,3)22-14(21)20-8-6-19(7-9-20)13-11-16-12(10-17-13)18(4)5/h10,16H,6-9,11H2,1-5H3
InChIKeyZMCNJGBFYKOURP-UHFFFAOYSA-N
XLogP0.90
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate (CID 70866227) is tert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate is CN(C)C1=CN=C(N2CCN(C(=O)OC(C)(C)C)CC2)CN1.
What is the InChIKey of tert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate?
The InChIKey is ZMCNJGBFYKOURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-15(2,3)22-14(21)20-8-6-19(7-9-20)13-11-16-12(10-17-13)18(4)5/h10,16H,6-9,11H2,1-5H3.
What are the key properties of tert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate?
tert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(dimethylamino)-1,2-dihydropyrazin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 70866227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).