[4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone

C12H11N3O — CID 116548267

IUPAC[4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone
SMILESNCc1ccc(C(=O)c2cnccn2)cc1
InChIInChI=1S/C12H11N3O/c13-7-9-1-3-10(4-2-9)12(16)11-8-14-5-6-15-11/h1-6,8H,7,13H2
InChIKeyCPVHXRWKZVRBTE-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.17
Rot. Bonds3

About [4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone

[4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone (PubChem CID 116548267) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone
PubChem CID116548267
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name[4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone
SMILESNCc1ccc(C(=O)c2cnccn2)cc1
InChIInChI=1S/C12H11N3O/c13-7-9-1-3-10(4-2-9)12(16)11-8-14-5-6-15-11/h1-6,8H,7,13H2
InChIKeyCPVHXRWKZVRBTE-UHFFFAOYSA-N
XLogP1.17
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone (CID 116548267) is [4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone is NCc1ccc(C(=O)c2cnccn2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone?
The InChIKey is CPVHXRWKZVRBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-7-9-1-3-10(4-2-9)12(16)11-8-14-5-6-15-11/h1-6,8H,7,13H2.
What are the key properties of [4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone?
[4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone has a molecular weight of 213.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 116548267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).