methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate

C10H14ClN5O2 — CID 90674684

IUPACmethyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(N2CCNCC2)nc1N
InChIInChI=1S/C10H14ClN5O2/c1-18-10(17)6-8(12)15-9(7(11)14-6)16-4-2-13-3-5-16/h13H,2-5H2,1H3,(H2,12,15)
InChIKeyTUPMHOJBENWEHK-UHFFFAOYSA-N
MW271.71 g/mol
LogP-0.09
Rot. Bonds2

About methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate

methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate (PubChem CID 90674684) has the molecular formula C10H14ClN5O2 and a molecular weight of 271.71 g/mol. Its IUPAC name is methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate
PubChem CID90674684
Molecular FormulaC10H14ClN5O2
Molecular Weight271.71 g/mol
Exact Mass271.08
IUPAC Namemethyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(N2CCNCC2)nc1N
InChIInChI=1S/C10H14ClN5O2/c1-18-10(17)6-8(12)15-9(7(11)14-6)16-4-2-13-3-5-16/h13H,2-5H2,1H3,(H2,12,15)
InChIKeyTUPMHOJBENWEHK-UHFFFAOYSA-N
XLogP-0.09
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate (CID 90674684) is methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate is COC(=O)c1nc(Cl)c(N2CCNCC2)nc1N.
What is the InChIKey of methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate?
The InChIKey is TUPMHOJBENWEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2/c1-18-10(17)6-8(12)15-9(7(11)14-6)16-4-2-13-3-5-16/h13H,2-5H2,1H3,(H2,12,15).
What are the key properties of methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate?
methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate has a molecular weight of 271.71 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate is sourced from PubChem (CID 90674684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).