2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid

C11H14N6O3 — CID 115457841

IUPAC2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
SMILESCCOc1cncc(NCc2cn(CC(=O)O)nn2)n1
InChIInChI=1S/C11H14N6O3/c1-2-20-10-5-12-4-9(14-10)13-3-8-6-17(16-15-8)7-11(18)19/h4-6H,2-3,7H2,1H3,(H,13,14)(H,18,19)
InChIKeyTWUWXTRYOATUNX-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.16
Rot. Bonds7

About 2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid

2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 115457841) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID115457841
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
SMILESCCOc1cncc(NCc2cn(CC(=O)O)nn2)n1
InChIInChI=1S/C11H14N6O3/c1-2-20-10-5-12-4-9(14-10)13-3-8-6-17(16-15-8)7-11(18)19/h4-6H,2-3,7H2,1H3,(H,13,14)(H,18,19)
InChIKeyTWUWXTRYOATUNX-UHFFFAOYSA-N
XLogP0.16
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
CID 115457844
2-[4-[(pyrimidin-4-ylamino)methyl]triazol-1-yl]acetic acid
CID 115457928
2-[4-[[(2-methoxycarbonylpyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid
CID 115457843
2-[4-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid
CID 115457937
2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
CID 83065169
2-(4-ethyltriazol-1-yl)acetic acid
CID 67477110
2-[4-[(quinazolin-2-ylamino)methyl]triazol-1-yl]acetic acid
CID 114788647
1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450341
2-[4-[[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698499
2-[4-[(4-carbamoylanilino)methyl]triazol-1-yl]acetic acid
CID 115457897
2-[4-[[(3-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid
CID 103019161
2-[4-[(2-carbamoylanilino)methyl]triazol-1-yl]acetic acid
CID 115457975

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid (CID 115457841) is 2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid is CCOc1cncc(NCc2cn(CC(=O)O)nn2)n1.
What is the InChIKey of 2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is TWUWXTRYOATUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-2-20-10-5-12-4-9(14-10)13-3-8-6-17(16-15-8)7-11(18)19/h4-6H,2-3,7H2,1H3,(H,13,14)(H,18,19).
What are the key properties of 2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 278.27 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115457841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).