methyl 2-[(3-cyanopyrazin-2-yl)amino]-3-hydroxypropanoate

C9H10N4O3 — CID 62684182

IUPACmethyl 2-[(3-cyanopyrazin-2-yl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)Nc1nccnc1C#N
InChIInChI=1S/C9H10N4O3/c1-16-9(15)7(5-14)13-8-6(4-10)11-2-3-12-8/h2-3,7,14H,5H2,1H3,(H,12,13)
InChIKeyTVKRLNOBKRHIRA-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.71
Rot. Bonds4

About methyl 2-[(3-cyanopyrazin-2-yl)amino]-3-hydroxypropanoate

methyl 2-[(3-cyanopyrazin-2-yl)amino]-3-hydroxypropanoate (PubChem CID 62684182) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is methyl 2-[(3-cyanopyrazin-2-yl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(3-cyanopyrazin-2-yl)amino]-3-hydroxypropanoate
PubChem CID62684182
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Namemethyl 2-[(3-cyanopyrazin-2-yl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)Nc1nccnc1C#N
InChIInChI=1S/C9H10N4O3/c1-16-9(15)7(5-14)13-8-6(4-10)11-2-3-12-8/h2-3,7,14H,5H2,1H3,(H,12,13)
InChIKeyTVKRLNOBKRHIRA-UHFFFAOYSA-N
XLogP-0.71
TPSA108.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-cyanopyrazin-2-yl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(3-cyanopyrazin-2-yl)amino]-3-hydroxypropanoate (CID 62684182) is methyl 2-[(3-cyanopyrazin-2-yl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(3-cyanopyrazin-2-yl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(3-cyanopyrazin-2-yl)amino]-3-hydroxypropanoate is COC(=O)C(CO)Nc1nccnc1C#N.
What is the InChIKey of methyl 2-[(3-cyanopyrazin-2-yl)amino]-3-hydroxypropanoate?
The InChIKey is TVKRLNOBKRHIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-16-9(15)7(5-14)13-8-6(4-10)11-2-3-12-8/h2-3,7,14H,5H2,1H3,(H,12,13).
What are the key properties of methyl 2-[(3-cyanopyrazin-2-yl)amino]-3-hydroxypropanoate?
methyl 2-[(3-cyanopyrazin-2-yl)amino]-3-hydroxypropanoate has a molecular weight of 222.20 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-cyanopyrazin-2-yl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 62684182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).