methyl 3-[[3-(aminomethylamino)-5-methylpyrazin-2-yl]amino]propanoate

C10H17N5O2 — CID 70886675

IUPACmethyl 3-[[3-(aminomethylamino)-5-methylpyrazin-2-yl]amino]propanoate
SMILESCOC(=O)CCNc1ncc(C)nc1NCN
InChIInChI=1S/C10H17N5O2/c1-7-5-13-9(10(15-7)14-6-11)12-4-3-8(16)17-2/h5H,3-4,6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyVSNBHWUZYZDNKE-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.09
Rot. Bonds6

About methyl 3-[[3-(aminomethylamino)-5-methylpyrazin-2-yl]amino]propanoate

methyl 3-[[3-(aminomethylamino)-5-methylpyrazin-2-yl]amino]propanoate (PubChem CID 70886675) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is methyl 3-[[3-(aminomethylamino)-5-methylpyrazin-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[3-(aminomethylamino)-5-methylpyrazin-2-yl]amino]propanoate
PubChem CID70886675
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Namemethyl 3-[[3-(aminomethylamino)-5-methylpyrazin-2-yl]amino]propanoate
SMILESCOC(=O)CCNc1ncc(C)nc1NCN
InChIInChI=1S/C10H17N5O2/c1-7-5-13-9(10(15-7)14-6-11)12-4-3-8(16)17-2/h5H,3-4,6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyVSNBHWUZYZDNKE-UHFFFAOYSA-N
XLogP0.09
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(aminomethylamino)-5-methylpyrazin-2-yl]amino]propanoate?
The IUPAC name of methyl 3-[[3-(aminomethylamino)-5-methylpyrazin-2-yl]amino]propanoate (CID 70886675) is methyl 3-[[3-(aminomethylamino)-5-methylpyrazin-2-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[3-(aminomethylamino)-5-methylpyrazin-2-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[3-(aminomethylamino)-5-methylpyrazin-2-yl]amino]propanoate is COC(=O)CCNc1ncc(C)nc1NCN.
What is the InChIKey of methyl 3-[[3-(aminomethylamino)-5-methylpyrazin-2-yl]amino]propanoate?
The InChIKey is VSNBHWUZYZDNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-7-5-13-9(10(15-7)14-6-11)12-4-3-8(16)17-2/h5H,3-4,6,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of methyl 3-[[3-(aminomethylamino)-5-methylpyrazin-2-yl]amino]propanoate?
methyl 3-[[3-(aminomethylamino)-5-methylpyrazin-2-yl]amino]propanoate has a molecular weight of 239.28 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(aminomethylamino)-5-methylpyrazin-2-yl]amino]propanoate is sourced from PubChem (CID 70886675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).