1H-imidazol-2-yl(pyrazin-2-yl)methanone

C8H6N4O — CID 57100700

IUPAC1H-imidazol-2-yl(pyrazin-2-yl)methanone
SMILESO=C(c1cnccn1)c1ncc[nH]1
InChIInChI=1S/C8H6N4O/c13-7(8-11-3-4-12-8)6-5-9-1-2-10-6/h1-5H,(H,11,12)
InChIKeyUDQHDKSWHQNRBU-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.43
Rot. Bonds2

About 1H-imidazol-2-yl(pyrazin-2-yl)methanone

1H-imidazol-2-yl(pyrazin-2-yl)methanone (PubChem CID 57100700) has the molecular formula C8H6N4O and a molecular weight of 174.16 g/mol. Its IUPAC name is 1H-imidazol-2-yl(pyrazin-2-yl)methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl(pyrazin-2-yl)methanone
PubChem CID57100700
Molecular FormulaC8H6N4O
Molecular Weight174.16 g/mol
Exact Mass174.05
IUPAC Name1H-imidazol-2-yl(pyrazin-2-yl)methanone
SMILESO=C(c1cnccn1)c1ncc[nH]1
InChIInChI=1S/C8H6N4O/c13-7(8-11-3-4-12-8)6-5-9-1-2-10-6/h1-5H,(H,11,12)
InChIKeyUDQHDKSWHQNRBU-UHFFFAOYSA-N
XLogP0.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl(pyrazin-2-yl)methanone?
The IUPAC name of 1H-imidazol-2-yl(pyrazin-2-yl)methanone (CID 57100700) is 1H-imidazol-2-yl(pyrazin-2-yl)methanone.
What is the SMILES notation for 1H-imidazol-2-yl(pyrazin-2-yl)methanone?
The canonical SMILES for 1H-imidazol-2-yl(pyrazin-2-yl)methanone is O=C(c1cnccn1)c1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-yl(pyrazin-2-yl)methanone?
The InChIKey is UDQHDKSWHQNRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O/c13-7(8-11-3-4-12-8)6-5-9-1-2-10-6/h1-5H,(H,11,12).
What are the key properties of 1H-imidazol-2-yl(pyrazin-2-yl)methanone?
1H-imidazol-2-yl(pyrazin-2-yl)methanone has a molecular weight of 174.16 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl(pyrazin-2-yl)methanone is sourced from PubChem (CID 57100700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).