2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid

C10H12N6O2 — CID 83065169

IUPAC2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
SMILESCc1nccnc1NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C10H12N6O2/c1-7-10(12-3-2-11-7)13-4-8-5-16(15-14-8)6-9(17)18/h2-3,5H,4,6H2,1H3,(H,12,13)(H,17,18)
InChIKeySAIYNEQWFCVMAH-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.07
Rot. Bonds5

About 2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid

2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 83065169) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID83065169
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
SMILESCc1nccnc1NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C10H12N6O2/c1-7-10(12-3-2-11-7)13-4-8-5-16(15-14-8)6-9(17)18/h2-3,5H,4,6H2,1H3,(H,12,13)(H,17,18)
InChIKeySAIYNEQWFCVMAH-UHFFFAOYSA-N
XLogP0.07
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(2-methylsulfonylanilino)methyl]triazol-1-yl]acetic acid
CID 115457920
2-(4-ethyltriazol-1-yl)acetic acid
CID 67477110
2-[4-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]triazol-1-yl]acetic acid
CID 115457853
2-[4-[(quinazolin-2-ylamino)methyl]triazol-1-yl]acetic acid
CID 114788647
2-[4-[(4-carbamoylanilino)methyl]triazol-1-yl]acetic acid
CID 115457897
2-[4-[[(5-chloro-3-nitro-2-pyridinyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457934
2-[4-[(2-carbamoylanilino)methyl]triazol-1-yl]acetic acid
CID 115457975
2-[4-[(2-methylsulfonylethylsulfonylamino)methyl]triazol-1-yl]acetic acid
CID 115457762
2-[4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457604

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid (CID 83065169) is 2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid is Cc1nccnc1NCc1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is SAIYNEQWFCVMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-7-10(12-3-2-11-7)13-4-8-5-16(15-14-8)6-9(17)18/h2-3,5H,4,6H2,1H3,(H,12,13)(H,17,18).
What are the key properties of 2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 248.25 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 83065169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).