2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid

C13H13N3O2 — CID 81317834

IUPAC2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNc1cnccn1
InChIInChI=1S/C13H13N3O2/c17-13(18)7-10-3-1-2-4-11(10)8-16-12-9-14-5-6-15-12/h1-6,9H,7-8H2,(H,15,16)(H,17,18)
InChIKeySRKXOVXCHLAAGE-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.72
Rot. Bonds5

About 2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid

2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid (PubChem CID 81317834) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid
PubChem CID81317834
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNc1cnccn1
InChIInChI=1S/C13H13N3O2/c17-13(18)7-10-3-1-2-4-11(10)8-16-12-9-14-5-6-15-12/h1-6,9H,7-8H2,(H,15,16)(H,17,18)
InChIKeySRKXOVXCHLAAGE-UHFFFAOYSA-N
XLogP1.72
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81318485
N-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine
CID 68854087
2-[2-[[(5-nitro-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81311809
N-[(2-cyclobutyloxyphenyl)methyl]pyrazin-2-amine
CID 133308784
N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 133380218
1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea
CID 110492285
2-[2-[(1,2,4-thiadiazol-5-ylamino)methyl]phenyl]acetic acid
CID 81318048
2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81313236
2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid
CID 113482465
2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81439005
2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid
CID 43616102
N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 64695521

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid (CID 81317834) is 2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CNc1cnccn1.
What is the InChIKey of 2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid?
The InChIKey is SRKXOVXCHLAAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(18)7-10-3-1-2-4-11(10)8-16-12-9-14-5-6-15-12/h1-6,9H,7-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid?
2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid has a molecular weight of 243.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid is sourced from PubChem (CID 81317834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).