pyrazin-2-ylcyanamide

C5H4N4 — CID 13033261

IUPACpyrazin-2-ylcyanamide
SMILESN#CNc1cnccn1
InChIInChI=1S/C5H4N4/c6-4-9-5-3-7-1-2-8-5/h1-3H,(H,8,9)
InChIKeyPKVWPQNKBVUENA-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.37
Rot. Bonds1

About pyrazin-2-ylcyanamide

pyrazin-2-ylcyanamide (PubChem CID 13033261) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is pyrazin-2-ylcyanamide.

Molecular Properties

Compound Namepyrazin-2-ylcyanamide
PubChem CID13033261
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Namepyrazin-2-ylcyanamide
SMILESN#CNc1cnccn1
InChIInChI=1S/C5H4N4/c6-4-9-5-3-7-1-2-8-5/h1-3H,(H,8,9)
InChIKeyPKVWPQNKBVUENA-UHFFFAOYSA-N
XLogP0.37
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-Amino-5-bromopyrazine
CID 599539
Aminopyrazine
CID 78747
2-Amino-3-chloropyrazine
CID 276224
Ampyzine
CID 23483
N-Methylpyrazin-2-amine
CID 16767478
Pyrazine-2,3-diamine
CID 284161
2,6-Pyrazinediamine
CID 534688
N-Pyrazinylthiourea
CID 2771013
2-Pyrazinamine 4-oxide
CID 274094
1,1-Ethanediamine, N,N'-dipyrazinyl-
CID 100791
Pyrazine, 2-dimethylamino-, hydrochloride
CID 199885
1-Piperazinylpyrazine
CID 2734639

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-ylcyanamide?
The IUPAC name of pyrazin-2-ylcyanamide (CID 13033261) is pyrazin-2-ylcyanamide.
What is the SMILES notation for pyrazin-2-ylcyanamide?
The canonical SMILES for pyrazin-2-ylcyanamide is N#CNc1cnccn1.
What is the InChIKey of pyrazin-2-ylcyanamide?
The InChIKey is PKVWPQNKBVUENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c6-4-9-5-3-7-1-2-8-5/h1-3H,(H,8,9).
What are the key properties of pyrazin-2-ylcyanamide?
pyrazin-2-ylcyanamide has a molecular weight of 120.11 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-ylcyanamide is sourced from PubChem (CID 13033261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).