5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid

C15H15N3O2 — CID 122052048

IUPAC5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2CC(c3ccccc3)C2)cn1
InChIInChI=1S/C15H15N3O2/c19-15(20)13-8-17-14(9-16-13)18-12-6-11(7-12)10-4-2-1-3-5-10/h1-5,8-9,11-12H,6-7H2,(H,17,18)(H,19,20)
InChIKeyMIFVDJWDVXQMCU-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.53
Rot. Bonds4

About 5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid

5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid (PubChem CID 122052048) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid
PubChem CID122052048
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2CC(c3ccccc3)C2)cn1
InChIInChI=1S/C15H15N3O2/c19-15(20)13-8-17-14(9-16-13)18-12-6-11(7-12)10-4-2-1-3-5-10/h1-5,8-9,11-12H,6-7H2,(H,17,18)(H,19,20)
InChIKeyMIFVDJWDVXQMCU-UHFFFAOYSA-N
XLogP2.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid (CID 122052048) is 5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NC2CC(c3ccccc3)C2)cn1.
What is the InChIKey of 5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is MIFVDJWDVXQMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(20)13-8-17-14(9-16-13)18-12-6-11(7-12)10-4-2-1-3-5-10/h1-5,8-9,11-12H,6-7H2,(H,17,18)(H,19,20).
What are the key properties of 5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid?
5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122052048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).