3-amino-5-iodopyrazine-2-carbonitrile

C5H3IN4 — CID 150506805

IUPAC3-amino-5-iodopyrazine-2-carbonitrile
SMILESN#Cc1ncc(I)nc1N
InChIInChI=1S/C5H3IN4/c6-4-2-9-3(1-7)5(8)10-4/h2H,(H2,8,10)
InChIKeyHYZOEMSKHWHSQL-UHFFFAOYSA-N
MW246.01 g/mol
LogP0.54
Rot. Bonds

About 3-amino-5-iodopyrazine-2-carbonitrile

3-amino-5-iodopyrazine-2-carbonitrile (PubChem CID 150506805) has the molecular formula C5H3IN4 and a molecular weight of 246.01 g/mol. Its IUPAC name is 3-amino-5-iodopyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-iodopyrazine-2-carbonitrile
PubChem CID150506805
Molecular FormulaC5H3IN4
Molecular Weight246.01 g/mol
Exact Mass245.94
IUPAC Name3-amino-5-iodopyrazine-2-carbonitrile
SMILESN#Cc1ncc(I)nc1N
InChIInChI=1S/C5H3IN4/c6-4-2-9-3(1-7)5(8)10-4/h2H,(H2,8,10)
InChIKeyHYZOEMSKHWHSQL-UHFFFAOYSA-N
XLogP0.54
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.01
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3,5-diaminopyrazine-2,6-dicarbonitrile
CID 19022925
5-amino-3-methylpyrazine-2-carbonitrile
CID 71744183
5-amino-3-propan-2-ylpyrazine-2-carbonitrile
CID 123481149
3-chloro-5-iodopyridine-2-carbonitrile
CID 133059354
CID 89194615
CID 89194615
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
CID 118991428
2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile
CID 118997640
4-amino-5-ethyl-3-fluoropyridine-2-carbonitrile
CID 126485209
6-amino-5-iodo-4-methylpyridine-3-carbonitrile
CID 131521959
6-cyano-4-(difluoromethyl)-5-iodopyridine-3-carboxamide
CID 118995518
5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile
CID 165380889
3-(aminomethyl)-5-chloropyridine-2-carbonitrile
CID 122605010

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-iodopyrazine-2-carbonitrile?
The IUPAC name of 3-amino-5-iodopyrazine-2-carbonitrile (CID 150506805) is 3-amino-5-iodopyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-iodopyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-5-iodopyrazine-2-carbonitrile is N#Cc1ncc(I)nc1N.
What is the InChIKey of 3-amino-5-iodopyrazine-2-carbonitrile?
The InChIKey is HYZOEMSKHWHSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IN4/c6-4-2-9-3(1-7)5(8)10-4/h2H,(H2,8,10).
What are the key properties of 3-amino-5-iodopyrazine-2-carbonitrile?
3-amino-5-iodopyrazine-2-carbonitrile has a molecular weight of 246.01 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-iodopyrazine-2-carbonitrile is sourced from PubChem (CID 150506805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).