2-[(6-amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid

C7H10N6O2 — CID 70683232

IUPAC2-[(6-amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid
SMILES[H]/N=C(\N)c1ncc(NCC(=O)O)nc1N
InChIInChI=1S/C7H10N6O2/c8-6(9)5-7(10)13-3(1-12-5)11-2-4(14)15/h1H,2H2,(H3,8,9)(H,14,15)(H3,10,11,13)
InChIKeyQBSHEHPLGZERAQ-UHFFFAOYSA-N
MW210.20 g/mol
LogP-1.16
Rot. Bonds4

About 2-[(6-amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid

2-[(6-amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid (PubChem CID 70683232) has the molecular formula C7H10N6O2 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-[(6-amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid
PubChem CID70683232
Molecular FormulaC7H10N6O2
Molecular Weight210.20 g/mol
Exact Mass210.09
IUPAC Name2-[(6-amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid
SMILES[H]/N=C(\N)c1ncc(NCC(=O)O)nc1N
InChIInChI=1S/C7H10N6O2/c8-6(9)5-7(10)13-3(1-12-5)11-2-4(14)15/h1H,2H2,(H3,8,9)(H,14,15)(H3,10,11,13)
InChIKeyQBSHEHPLGZERAQ-UHFFFAOYSA-N
XLogP-1.16
TPSA151.00 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 5-1.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(6-amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid (CID 70683232) is 2-[(6-amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid is [H]/N=C(\N)c1ncc(NCC(=O)O)nc1N.
What is the InChIKey of 2-[(6-amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid?
The InChIKey is QBSHEHPLGZERAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2/c8-6(9)5-7(10)13-3(1-12-5)11-2-4(14)15/h1H,2H2,(H3,8,9)(H,14,15)(H3,10,11,13).
What are the key properties of 2-[(6-amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid?
2-[(6-amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid has a molecular weight of 210.20 g/mol, XLogP of -1.16, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid is sourced from PubChem (CID 70683232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).