ethyl 3-(6-methylpyrazin-2-yl)prop-2-ynoate

C10H10N2O2 — CID 122242824

IUPACethyl 3-(6-methylpyrazin-2-yl)prop-2-ynoate
SMILESCCOC(=O)C#Cc1cncc(C)n1
InChIInChI=1S/C10H10N2O2/c1-3-14-10(13)5-4-9-7-11-6-8(2)12-9/h6-7H,3H2,1-2H3
InChIKeyTVKMNBLJUMHLHT-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.70
Rot. Bonds1

About ethyl 3-(6-methylpyrazin-2-yl)prop-2-ynoate

ethyl 3-(6-methylpyrazin-2-yl)prop-2-ynoate (PubChem CID 122242824) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl 3-(6-methylpyrazin-2-yl)prop-2-ynoate.

Molecular Properties

Compound Nameethyl 3-(6-methylpyrazin-2-yl)prop-2-ynoate
PubChem CID122242824
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Nameethyl 3-(6-methylpyrazin-2-yl)prop-2-ynoate
SMILESCCOC(=O)C#Cc1cncc(C)n1
InChIInChI=1S/C10H10N2O2/c1-3-14-10(13)5-4-9-7-11-6-8(2)12-9/h6-7H,3H2,1-2H3
InChIKeyTVKMNBLJUMHLHT-UHFFFAOYSA-N
XLogP0.70
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(5-methylpyrazin-2-yl)prop-2-ynoate
CID 165462707
ethyl 4-(6-methylpyrazin-2-yl)but-3-ynoate
CID 170470688
ethyl 3-(2-methoxy-3-pyridinyl)prop-2-ynoate
CID 130543278
ethyl 3-(4-aminophenyl)prop-2-ynoate
CID 20525747
ethyl 3-(2,3-difluoro-4-methylphenyl)prop-2-ynoate
CID 107514271
ethyl 3-(2-amino-4-methoxyphenyl)prop-2-ynoate
CID 165458923
ethyl 3-(5-fluoro-3-methyl-2-pyridinyl)prop-2-ynoate
CID 122242835
ethyl 3-(4-hydroxy-2-methylphenyl)prop-2-ynoate
CID 165451931
6-methylpyrazine-2-carbonitrile
CID 23273385
ethyl 3-pyren-2-ylprop-2-ynoate
CID 102205484
ethyl 3-(cyclopenten-1-yl)prop-2-ynoate
CID 102325118
ethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate
CID 170619052

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-methylpyrazin-2-yl)prop-2-ynoate?
The IUPAC name of ethyl 3-(6-methylpyrazin-2-yl)prop-2-ynoate (CID 122242824) is ethyl 3-(6-methylpyrazin-2-yl)prop-2-ynoate.
What is the SMILES notation for ethyl 3-(6-methylpyrazin-2-yl)prop-2-ynoate?
The canonical SMILES for ethyl 3-(6-methylpyrazin-2-yl)prop-2-ynoate is CCOC(=O)C#Cc1cncc(C)n1.
What is the InChIKey of ethyl 3-(6-methylpyrazin-2-yl)prop-2-ynoate?
The InChIKey is TVKMNBLJUMHLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-3-14-10(13)5-4-9-7-11-6-8(2)12-9/h6-7H,3H2,1-2H3.
What are the key properties of ethyl 3-(6-methylpyrazin-2-yl)prop-2-ynoate?
ethyl 3-(6-methylpyrazin-2-yl)prop-2-ynoate has a molecular weight of 190.20 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-methylpyrazin-2-yl)prop-2-ynoate is sourced from PubChem (CID 122242824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).