methyl 2-[(3-aminopyrazin-2-yl)methylamino]acetate

C8H12N4O2 — CID 123921577

IUPACmethyl 2-[(3-aminopyrazin-2-yl)methylamino]acetate
SMILESCOC(=O)CNCc1nccnc1N
InChIInChI=1S/C8H12N4O2/c1-14-7(13)5-10-4-6-8(9)12-3-2-11-6/h2-3,10H,4-5H2,1H3,(H2,9,12)
InChIKeyYCEGDFLJJZNQKV-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.68
Rot. Bonds4

About methyl 2-[(3-aminopyrazin-2-yl)methylamino]acetate

methyl 2-[(3-aminopyrazin-2-yl)methylamino]acetate (PubChem CID 123921577) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 2-[(3-aminopyrazin-2-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-aminopyrazin-2-yl)methylamino]acetate
PubChem CID123921577
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Namemethyl 2-[(3-aminopyrazin-2-yl)methylamino]acetate
SMILESCOC(=O)CNCc1nccnc1N
InChIInChI=1S/C8H12N4O2/c1-14-7(13)5-10-4-6-8(9)12-3-2-11-6/h2-3,10H,4-5H2,1H3,(H2,9,12)
InChIKeyYCEGDFLJJZNQKV-UHFFFAOYSA-N
XLogP-0.68
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-aminopyrazin-2-yl)methylamino]acetate?
The IUPAC name of methyl 2-[(3-aminopyrazin-2-yl)methylamino]acetate (CID 123921577) is methyl 2-[(3-aminopyrazin-2-yl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(3-aminopyrazin-2-yl)methylamino]acetate?
The canonical SMILES for methyl 2-[(3-aminopyrazin-2-yl)methylamino]acetate is COC(=O)CNCc1nccnc1N.
What is the InChIKey of methyl 2-[(3-aminopyrazin-2-yl)methylamino]acetate?
The InChIKey is YCEGDFLJJZNQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-14-7(13)5-10-4-6-8(9)12-3-2-11-6/h2-3,10H,4-5H2,1H3,(H2,9,12).
What are the key properties of methyl 2-[(3-aminopyrazin-2-yl)methylamino]acetate?
methyl 2-[(3-aminopyrazin-2-yl)methylamino]acetate has a molecular weight of 196.21 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-aminopyrazin-2-yl)methylamino]acetate is sourced from PubChem (CID 123921577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).