methyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate

C11H16ClN3O2 — CID 121204713

IUPACmethyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate
SMILESCCCCC(Nc1nccnc1Cl)C(=O)OC
InChIInChI=1S/C11H16ClN3O2/c1-3-4-5-8(11(16)17-2)15-10-9(12)13-6-7-14-10/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyBBZUIMYGQBDZSE-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.27
Rot. Bonds6

About methyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate

methyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate (PubChem CID 121204713) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is methyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate
PubChem CID121204713
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Namemethyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate
SMILESCCCCC(Nc1nccnc1Cl)C(=O)OC
InChIInChI=1S/C11H16ClN3O2/c1-3-4-5-8(11(16)17-2)15-10-9(12)13-6-7-14-10/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyBBZUIMYGQBDZSE-UHFFFAOYSA-N
XLogP2.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate?
The IUPAC name of methyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate (CID 121204713) is methyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate.
What is the SMILES notation for methyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate?
The canonical SMILES for methyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate is CCCCC(Nc1nccnc1Cl)C(=O)OC.
What is the InChIKey of methyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate?
The InChIKey is BBZUIMYGQBDZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-3-4-5-8(11(16)17-2)15-10-9(12)13-6-7-14-10/h6-8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate?
methyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate has a molecular weight of 257.72 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate is sourced from PubChem (CID 121204713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).