N-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine

C15H13N3O — CID 68854087

IUPACN-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine
SMILESc1coc(-c2ccccc2CNc2cnccn2)c1
InChIInChI=1S/C15H13N3O/c1-2-5-13(14-6-3-9-19-14)12(4-1)10-18-15-11-16-7-8-17-15/h1-9,11H,10H2,(H,17,18)
InChIKeyBJIUDWNQQRECMB-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.35
Rot. Bonds4

About N-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine

N-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine (PubChem CID 68854087) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine
PubChem CID68854087
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine
SMILESc1coc(-c2ccccc2CNc2cnccn2)c1
InChIInChI=1S/C15H13N3O/c1-2-5-13(14-6-3-9-19-14)12(4-1)10-18-15-11-16-7-8-17-15/h1-9,11H,10H2,(H,17,18)
InChIKeyBJIUDWNQQRECMB-UHFFFAOYSA-N
XLogP3.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine?
The IUPAC name of N-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine (CID 68854087) is N-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine?
The canonical SMILES for N-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine is c1coc(-c2ccccc2CNc2cnccn2)c1.
What is the InChIKey of N-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine?
The InChIKey is BJIUDWNQQRECMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-5-13(14-6-3-9-19-14)12(4-1)10-18-15-11-16-7-8-17-15/h1-9,11H,10H2,(H,17,18).
What are the key properties of N-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine?
N-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)phenyl]methyl]pyrazin-2-amine is sourced from PubChem (CID 68854087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).