methyl 6-(aminomethyl)pyrazine-2-carboxylate

C7H9N3O2 — CID 58009434

IUPACmethyl 6-(aminomethyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(CN)n1
InChIInChI=1S/C7H9N3O2/c1-12-7(11)6-4-9-3-5(2-8)10-6/h3-4H,2,8H2,1H3
InChIKeyPCUFWJDPYHPWRP-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.28
Rot. Bonds2

About methyl 6-(aminomethyl)pyrazine-2-carboxylate

methyl 6-(aminomethyl)pyrazine-2-carboxylate (PubChem CID 58009434) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is methyl 6-(aminomethyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(aminomethyl)pyrazine-2-carboxylate
PubChem CID58009434
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Namemethyl 6-(aminomethyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(CN)n1
InChIInChI=1S/C7H9N3O2/c1-12-7(11)6-4-9-3-5(2-8)10-6/h3-4H,2,8H2,1H3
InChIKeyPCUFWJDPYHPWRP-UHFFFAOYSA-N
XLogP-0.28
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-bromopyrazine-2-carboxylate
CID 52988070
methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate
CID 114900602
methyl 5-(aminomethyl)pyrazine-2-carboxylate;hydrochloride
CID 67079097
methyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate
CID 66456836
methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate
CID 66456232
methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate
CID 66456879
methyl 6-chlorosulfonylpyrazine-2-carboxylate
CID 66456417
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
methyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate
CID 66457826
methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate
CID 66456212
methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate
CID 66449702
methyl 6-(4-aminoanilino)pyrazine-2-carboxylate
CID 66456957

Frequently Asked Questions

What is the IUPAC name of methyl 6-(aminomethyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(aminomethyl)pyrazine-2-carboxylate (CID 58009434) is methyl 6-(aminomethyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(aminomethyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(aminomethyl)pyrazine-2-carboxylate is COC(=O)c1cncc(CN)n1.
What is the InChIKey of methyl 6-(aminomethyl)pyrazine-2-carboxylate?
The InChIKey is PCUFWJDPYHPWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-12-7(11)6-4-9-3-5(2-8)10-6/h3-4H,2,8H2,1H3.
What are the key properties of methyl 6-(aminomethyl)pyrazine-2-carboxylate?
methyl 6-(aminomethyl)pyrazine-2-carboxylate has a molecular weight of 167.17 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(aminomethyl)pyrazine-2-carboxylate is sourced from PubChem (CID 58009434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).