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

C11H12N6O4 — CID 115457844

IUPAC2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
SMILESCOC(=O)c1cncc(NCc2cn(CC(=O)O)nn2)n1
InChIInChI=1S/C11H12N6O4/c1-21-11(20)8-3-12-4-9(14-8)13-2-7-5-17(16-15-7)6-10(18)19/h3-5H,2,6H2,1H3,(H,13,14)(H,18,19)
InChIKeyFJTMNMBVYROVJW-UHFFFAOYSA-N
MW292.26 g/mol
LogP-0.45
Rot. Bonds6

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

2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 115457844) has the molecular formula C11H12N6O4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID115457844
Molecular FormulaC11H12N6O4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
SMILESCOC(=O)c1cncc(NCc2cn(CC(=O)O)nn2)n1
InChIInChI=1S/C11H12N6O4/c1-21-11(20)8-3-12-4-9(14-8)13-2-7-5-17(16-15-7)6-10(18)19/h3-5H,2,6H2,1H3,(H,13,14)(H,18,19)
InChIKeyFJTMNMBVYROVJW-UHFFFAOYSA-N
XLogP-0.45
TPSA132.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
CID 115457841
2-[4-[[(2-methoxycarbonylpyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid
CID 115457843
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate
CID 66457699
2-[4-[(pyrimidin-4-ylamino)methyl]triazol-1-yl]acetic acid
CID 115457928
methyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate
CID 66456495
2-[4-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid
CID 115457937
methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate
CID 104577442
2-[4-[(quinazolin-2-ylamino)methyl]triazol-1-yl]acetic acid
CID 114788647
2-[4-[[(3-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid
CID 103019161
2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
CID 83065169
2-[4-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 104763980

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid (CID 115457844) is 2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid is COC(=O)c1cncc(NCc2cn(CC(=O)O)nn2)n1.
What is the InChIKey of 2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is FJTMNMBVYROVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O4/c1-21-11(20)8-3-12-4-9(14-8)13-2-7-5-17(16-15-7)6-10(18)19/h3-5H,2,6H2,1H3,(H,13,14)(H,18,19).
What are the key properties of 2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 292.26 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115457844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).