pyrazin-2-ylurea

C5H6N4O — CID 13033268

IUPACpyrazin-2-ylurea
SMILESNC(=O)Nc1cnccn1
InChIInChI=1S/C5H6N4O/c6-5(10)9-4-3-7-1-2-8-4/h1-3H,(H3,6,8,9,10)
InChIKeyVRJZAXSEHHYIMD-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.03
Rot. Bonds1

About pyrazin-2-ylurea

pyrazin-2-ylurea (PubChem CID 13033268) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is pyrazin-2-ylurea.

Molecular Properties

Compound Namepyrazin-2-ylurea
PubChem CID13033268
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Namepyrazin-2-ylurea
SMILESNC(=O)Nc1cnccn1
InChIInChI=1S/C5H6N4O/c6-5(10)9-4-3-7-1-2-8-4/h1-3H,(H3,6,8,9,10)
InChIKeyVRJZAXSEHHYIMD-UHFFFAOYSA-N
XLogP-0.03
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-ylurea?
The IUPAC name of pyrazin-2-ylurea (CID 13033268) is pyrazin-2-ylurea.
What is the SMILES notation for pyrazin-2-ylurea?
The canonical SMILES for pyrazin-2-ylurea is NC(=O)Nc1cnccn1.
What is the InChIKey of pyrazin-2-ylurea?
The InChIKey is VRJZAXSEHHYIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c6-5(10)9-4-3-7-1-2-8-4/h1-3H,(H3,6,8,9,10).
What are the key properties of pyrazin-2-ylurea?
pyrazin-2-ylurea has a molecular weight of 138.13 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-ylurea is sourced from PubChem (CID 13033268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).