methyl 5-(butylamino)pyrazine-2-carboxylate

C10H15N3O2 — CID 68565370

IUPACmethyl 5-(butylamino)pyrazine-2-carboxylate
SMILESCCCCNc1cnc(C(=O)OC)cn1
InChIInChI=1S/C10H15N3O2/c1-3-4-5-11-9-7-12-8(6-13-9)10(14)15-2/h6-7H,3-5H2,1-2H3,(H,11,13)
InChIKeyKXZCHWPGYFRHBM-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.48
Rot. Bonds5

About methyl 5-(butylamino)pyrazine-2-carboxylate

methyl 5-(butylamino)pyrazine-2-carboxylate (PubChem CID 68565370) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 5-(butylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(butylamino)pyrazine-2-carboxylate
PubChem CID68565370
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 5-(butylamino)pyrazine-2-carboxylate
SMILESCCCCNc1cnc(C(=O)OC)cn1
InChIInChI=1S/C10H15N3O2/c1-3-4-5-11-9-7-12-8(6-13-9)10(14)15-2/h6-7H,3-5H2,1-2H3,(H,11,13)
InChIKeyKXZCHWPGYFRHBM-UHFFFAOYSA-N
XLogP1.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.48
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

methyl 5-[2-[ethyl(propyl)amino]ethylamino]pyrazine-2-carboxylate
CID 114132782
methyl 2-[[5-(butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109272677
5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272533
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
5-(butylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109272630
methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate
CID 103772184
methyl 5-[(5-hydroxy-2,2-dimethylpentyl)amino]pyrazine-2-carboxylate
CID 106148777
methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate
CID 114059751
N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide
CID 109288114
5-(3-methoxypropylamino)-N,N-dipropylpyrazine-2-carboxamide
CID 109276273
5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109272639

Frequently Asked Questions

What is the IUPAC name of methyl 5-(butylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(butylamino)pyrazine-2-carboxylate (CID 68565370) is methyl 5-(butylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(butylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(butylamino)pyrazine-2-carboxylate is CCCCNc1cnc(C(=O)OC)cn1.
What is the InChIKey of methyl 5-(butylamino)pyrazine-2-carboxylate?
The InChIKey is KXZCHWPGYFRHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-4-5-11-9-7-12-8(6-13-9)10(14)15-2/h6-7H,3-5H2,1-2H3,(H,11,13).
What are the key properties of methyl 5-(butylamino)pyrazine-2-carboxylate?
methyl 5-(butylamino)pyrazine-2-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(butylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 68565370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).