methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate

C6H8ClN5O2 — CID 54167356

IUPACmethyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(NN)nc1N
InChIInChI=1S/C6H8ClN5O2/c1-14-6(13)2-4(8)11-5(12-9)3(7)10-2/h9H2,1H3,(H3,8,11,12)
InChIKeyOSOZJOXMLZCQQZ-UHFFFAOYSA-N
MW217.62 g/mol
LogP-0.22
Rot. Bonds2

About methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate

methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate (PubChem CID 54167356) has the molecular formula C6H8ClN5O2 and a molecular weight of 217.62 g/mol. Its IUPAC name is methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate
PubChem CID54167356
Molecular FormulaC6H8ClN5O2
Molecular Weight217.62 g/mol
Exact Mass217.04
IUPAC Namemethyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(NN)nc1N
InChIInChI=1S/C6H8ClN5O2/c1-14-6(13)2-4(8)11-5(12-9)3(7)10-2/h9H2,1H3,(H3,8,11,12)
InChIKeyOSOZJOXMLZCQQZ-UHFFFAOYSA-N
XLogP-0.22
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.62
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate (CID 54167356) is methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate is COC(=O)c1nc(Cl)c(NN)nc1N.
What is the InChIKey of methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate?
The InChIKey is OSOZJOXMLZCQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN5O2/c1-14-6(13)2-4(8)11-5(12-9)3(7)10-2/h9H2,1H3,(H3,8,11,12).
What are the key properties of methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate?
methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate has a molecular weight of 217.62 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate is sourced from PubChem (CID 54167356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).