2-[(6-methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

C11H13N5O3 — CID 113279578

IUPAC2-[(6-methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCOc1cncc(NC(C(=O)O)c2cnn(C)c2)n1
InChIInChI=1S/C11H13N5O3/c1-16-6-7(3-13-16)10(11(17)18)15-8-4-12-5-9(14-8)19-2/h3-6,10H,1-2H3,(H,14,15)(H,17,18)
InChIKeyFMZXXMUXRNDXGO-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.46
Rot. Bonds5

About 2-[(6-methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

2-[(6-methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 113279578) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[(6-methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(6-methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID113279578
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name2-[(6-methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCOc1cncc(NC(C(=O)O)c2cnn(C)c2)n1
InChIInChI=1S/C11H13N5O3/c1-16-6-7(3-13-16)10(11(17)18)15-8-4-12-5-9(14-8)19-2/h3-6,10H,1-2H3,(H,14,15)(H,17,18)
InChIKeyFMZXXMUXRNDXGO-UHFFFAOYSA-N
XLogP0.46
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(6-methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 113279578) is 2-[(6-methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(6-methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(6-methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is COc1cncc(NC(C(=O)O)c2cnn(C)c2)n1.
What is the InChIKey of 2-[(6-methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is FMZXXMUXRNDXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-16-6-7(3-13-16)10(11(17)18)15-8-4-12-5-9(14-8)19-2/h3-6,10H,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 2-[(6-methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[(6-methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 263.26 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 113279578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).