ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate

C11H17N5O2 — CID 103633734

IUPACethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nccnc2N)CC1
InChIInChI=1S/C11H17N5O2/c1-2-18-11(17)16-7-5-15(6-8-16)10-9(12)13-3-4-14-10/h3-4H,2,5-8H2,1H3,(H2,12,13)
InChIKeyMBIWUMUFZHWNAP-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.34
Rot. Bonds2

About ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate

ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate (PubChem CID 103633734) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate
PubChem CID103633734
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Nameethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nccnc2N)CC1
InChIInChI=1S/C11H17N5O2/c1-2-18-11(17)16-7-5-15(6-8-16)10-9(12)13-3-4-14-10/h3-4H,2,5-8H2,1H3,(H2,12,13)
InChIKeyMBIWUMUFZHWNAP-UHFFFAOYSA-N
XLogP0.34
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
CID 107876769
ethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate
CID 107876783
ethyl 4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazine-1-carboxylate
CID 108531691
ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 104526987
5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 98032415
ethyl 4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 84574983
ethyl 4-(5-amino-3-bromo-2-pyridinyl)piperazine-1-carboxylate
CID 107876726
ethyl 4-(6-chloro-5-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 107877549
ethyl 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112862923
ethyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897882
ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 107877825
ethyl 4-(2-fluoro-4-pyridinyl)piperazine-1-carboxylate
CID 114011876

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate (CID 103633734) is ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nccnc2N)CC1.
What is the InChIKey of ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate?
The InChIKey is MBIWUMUFZHWNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-2-18-11(17)16-7-5-15(6-8-16)10-9(12)13-3-4-14-10/h3-4H,2,5-8H2,1H3,(H2,12,13).
What are the key properties of ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate?
ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 103633734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).