1,2,3,6-tetrahydropyrazin-5-ylcyanamide

C5H8N4 — CID 87229259

IUPAC1,2,3,6-tetrahydropyrazin-5-ylcyanamide
SMILESN#CNC1=NCCNC1
InChIInChI=1S/C5H8N4/c6-4-9-5-3-7-1-2-8-5/h7H,1-3H2,(H,8,9)
InChIKeyVOURYXZDBLOCIV-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.94
Rot. Bonds

About 1,2,3,6-tetrahydropyrazin-5-ylcyanamide

1,2,3,6-tetrahydropyrazin-5-ylcyanamide (PubChem CID 87229259) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyrazin-5-ylcyanamide.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyrazin-5-ylcyanamide
PubChem CID87229259
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name1,2,3,6-tetrahydropyrazin-5-ylcyanamide
SMILESN#CNC1=NCCNC1
InChIInChI=1S/C5H8N4/c6-4-9-5-3-7-1-2-8-5/h7H,1-3H2,(H,8,9)
InChIKeyVOURYXZDBLOCIV-UHFFFAOYSA-N
XLogP-0.94
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyrazin-5-ylcyanamide?
The IUPAC name of 1,2,3,6-tetrahydropyrazin-5-ylcyanamide (CID 87229259) is 1,2,3,6-tetrahydropyrazin-5-ylcyanamide.
What is the SMILES notation for 1,2,3,6-tetrahydropyrazin-5-ylcyanamide?
The canonical SMILES for 1,2,3,6-tetrahydropyrazin-5-ylcyanamide is N#CNC1=NCCNC1.
What is the InChIKey of 1,2,3,6-tetrahydropyrazin-5-ylcyanamide?
The InChIKey is VOURYXZDBLOCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c6-4-9-5-3-7-1-2-8-5/h7H,1-3H2,(H,8,9).
What are the key properties of 1,2,3,6-tetrahydropyrazin-5-ylcyanamide?
1,2,3,6-tetrahydropyrazin-5-ylcyanamide has a molecular weight of 124.15 g/mol, XLogP of -0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyrazin-5-ylcyanamide is sourced from PubChem (CID 87229259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).