butyl 3-amino-6-chloropyrazine-2-carboxylate

C9H12ClN3O2 — CID 91884483

IUPACbutyl 3-amino-6-chloropyrazine-2-carboxylate
SMILESCCCCOC(=O)c1nc(Cl)cnc1N
InChIInChI=1S/C9H12ClN3O2/c1-2-3-4-15-9(14)7-8(11)12-5-6(10)13-7/h5H,2-4H2,1H3,(H2,11,12)
InChIKeyGPXWZGWQEQAEAJ-UHFFFAOYSA-N
MW229.67 g/mol
LogP1.67
Rot. Bonds4

About butyl 3-amino-6-chloropyrazine-2-carboxylate

butyl 3-amino-6-chloropyrazine-2-carboxylate (PubChem CID 91884483) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is butyl 3-amino-6-chloropyrazine-2-carboxylate.

Molecular Properties

Compound Namebutyl 3-amino-6-chloropyrazine-2-carboxylate
PubChem CID91884483
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Namebutyl 3-amino-6-chloropyrazine-2-carboxylate
SMILESCCCCOC(=O)c1nc(Cl)cnc1N
InChIInChI=1S/C9H12ClN3O2/c1-2-3-4-15-9(14)7-8(11)12-5-6(10)13-7/h5H,2-4H2,1H3,(H2,11,12)
InChIKeyGPXWZGWQEQAEAJ-UHFFFAOYSA-N
XLogP1.67
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 5-chloro-2-oxo-1H-pyrazine-3-carboxylate
CID 91884494
ethyl 3,5-dichloropyrazine-2-carboxylate
CID 53419466
nonyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 91732266
3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate
CID 43039024
butyl 5-aminopyridine-2-carboxylate
CID 81315833
butyl 5-methyl-1H-imidazole-4-carboxylate
CID 21401480
butyl 2-butoxy-5-chloropyridine-3-carboxylate
CID 91664640
heptyl 2,5-dichloropyridine-4-carboxylate
CID 114929183
butyl 6-bromopyrazine-2-carboxylate
CID 91884506
butyl 2-chloropyridine-3-carboxylate
CID 11310412
butyl 3-bromopyridine-2-carboxylate
CID 107519649
butyl 1,3-oxazole-2-carboxylate
CID 165359188

Frequently Asked Questions

What is the IUPAC name of butyl 3-amino-6-chloropyrazine-2-carboxylate?
The IUPAC name of butyl 3-amino-6-chloropyrazine-2-carboxylate (CID 91884483) is butyl 3-amino-6-chloropyrazine-2-carboxylate.
What is the SMILES notation for butyl 3-amino-6-chloropyrazine-2-carboxylate?
The canonical SMILES for butyl 3-amino-6-chloropyrazine-2-carboxylate is CCCCOC(=O)c1nc(Cl)cnc1N.
What is the InChIKey of butyl 3-amino-6-chloropyrazine-2-carboxylate?
The InChIKey is GPXWZGWQEQAEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-2-3-4-15-9(14)7-8(11)12-5-6(10)13-7/h5H,2-4H2,1H3,(H2,11,12).
What are the key properties of butyl 3-amino-6-chloropyrazine-2-carboxylate?
butyl 3-amino-6-chloropyrazine-2-carboxylate has a molecular weight of 229.67 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-amino-6-chloropyrazine-2-carboxylate is sourced from PubChem (CID 91884483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).