3-(1-benzofuran-2-yl)pyrazin-2-amine

C12H9N3O — CID 114734408

IUPAC3-(1-benzofuran-2-yl)pyrazin-2-amine
SMILESNc1nccnc1-c1cc2ccccc2o1
InChIInChI=1S/C12H9N3O/c13-12-11(14-5-6-15-12)10-7-8-3-1-2-4-9(8)16-10/h1-7H,(H2,13,15)
InChIKeyNQTLVMFGDHPIDU-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.47
Rot. Bonds1

About 3-(1-benzofuran-2-yl)pyrazin-2-amine

3-(1-benzofuran-2-yl)pyrazin-2-amine (PubChem CID 114734408) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)pyrazin-2-amine
PubChem CID114734408
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name3-(1-benzofuran-2-yl)pyrazin-2-amine
SMILESNc1nccnc1-c1cc2ccccc2o1
InChIInChI=1S/C12H9N3O/c13-12-11(14-5-6-15-12)10-7-8-3-1-2-4-9(8)16-10/h1-7H,(H2,13,15)
InChIKeyNQTLVMFGDHPIDU-UHFFFAOYSA-N
XLogP2.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzoxazol-2-yl)pyrazin-2-amine
CID 67388669
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine
CID 83203824
2-(1-benzofuran-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 63896796
2-(1-benzofuran-2-yl)-3-phenylquinoxaline
CID 20787617
2-[4-(1-benzofuran-2-yl)-2-pyridinyl]ethanamine
CID 82388761
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121
4-(1-benzofuran-2-yl)-5-benzyl-6-pyridin-2-ylpyrimidin-2-amine
CID 139449796
4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine
CID 169089879
3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole
CID 114734078
2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine
CID 114734051
2-(1-benzofuran-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridin-3-amine
CID 79041234

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)pyrazin-2-amine?
The IUPAC name of 3-(1-benzofuran-2-yl)pyrazin-2-amine (CID 114734408) is 3-(1-benzofuran-2-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)pyrazin-2-amine?
The canonical SMILES for 3-(1-benzofuran-2-yl)pyrazin-2-amine is Nc1nccnc1-c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-yl)pyrazin-2-amine?
The InChIKey is NQTLVMFGDHPIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-12-11(14-5-6-15-12)10-7-8-3-1-2-4-9(8)16-10/h1-7H,(H2,13,15).
What are the key properties of 3-(1-benzofuran-2-yl)pyrazin-2-amine?
3-(1-benzofuran-2-yl)pyrazin-2-amine has a molecular weight of 211.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)pyrazin-2-amine is sourced from PubChem (CID 114734408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).