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

C10H15Cl2N5O2 — CID 90674683

IUPACmethyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1nc(Cl)c(N2CCNCC2)nc1N.Cl
InChIInChI=1S/C10H14ClN5O2.ClH/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);1H
InChIKeyOHERRBJPZFATKB-UHFFFAOYSA-N
MW308.17 g/mol
LogP0.33
Rot. Bonds2

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

methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride (PubChem CID 90674683) has the molecular formula C10H15Cl2N5O2 and a molecular weight of 308.17 g/mol. Its IUPAC name is methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride
PubChem CID90674683
Molecular FormulaC10H15Cl2N5O2
Molecular Weight308.17 g/mol
Exact Mass307.06
IUPAC Namemethyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1nc(Cl)c(N2CCNCC2)nc1N.Cl
InChIInChI=1S/C10H14ClN5O2.ClH/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);1H
InChIKeyOHERRBJPZFATKB-UHFFFAOYSA-N
XLogP0.33
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide
CID 102060931
methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate
CID 102808521
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate
CID 102808721
methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate
CID 54167356
methyl 3-amino-6-chloro-5-propan-2-ylpyrazine-2-carboxylate
CID 58333443
methyl 3-amino-4,5,6-trichloropyridine-2-carboxylate
CID 86668297
methyl 3-amino-5-(azepan-1-yl)-6-phenylpyrazine-2-carboxylate
CID 58870289
methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate
CID 90403719
ethyl N-[[(3-amino-6-chloro-5-piperidin-1-ylpyrazine-2-carbonyl)amino]-(ethoxycarbonylamino)methylidene]carbamate
CID 54153949
methyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate
CID 155209346
methyl 5-amino-6-chloro-3-(methylamino)pyrazine-2-carboxylate
CID 139469901

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride (CID 90674683) is methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride is COC(=O)c1nc(Cl)c(N2CCNCC2)nc1N.Cl.
What is the InChIKey of methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride?
The InChIKey is OHERRBJPZFATKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2.ClH/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);1H.
What are the key properties of methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride?
methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride has a molecular weight of 308.17 g/mol, XLogP of 0.33, 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;hydrochloride is sourced from PubChem (CID 90674683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).