3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine

C8H8N4 — CID 165160309

IUPAC3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine
SMILES[C-]#[N+]c1nc(/C=C\C)cnc1N
InChIInChI=1S/C8H8N4/c1-3-4-6-5-11-7(9)8(10-2)12-6/h3-5H,1H3,(H2,9,11)/b4-3-
InChIKeySGCNBUUMXRVVID-ARJAWSKDSA-N
MW160.18 g/mol
LogP1.64
Rot. Bonds1

About 3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine

3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine (PubChem CID 165160309) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine
PubChem CID165160309
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine
SMILES[C-]#[N+]c1nc(/C=C\C)cnc1N
InChIInChI=1S/C8H8N4/c1-3-4-6-5-11-7(9)8(10-2)12-6/h3-5H,1H3,(H2,9,11)/b4-3-
InChIKeySGCNBUUMXRVVID-ARJAWSKDSA-N
XLogP1.64
TPSA56.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine?
The IUPAC name of 3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine (CID 165160309) is 3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine.
What is the SMILES notation for 3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine?
The canonical SMILES for 3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine is [C-]#[N+]c1nc(/C=C\C)cnc1N.
What is the InChIKey of 3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine?
The InChIKey is SGCNBUUMXRVVID-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H8N4/c1-3-4-6-5-11-7(9)8(10-2)12-6/h3-5H,1H3,(H2,9,11)/b4-3-.
What are the key properties of 3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine?
3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine has a molecular weight of 160.18 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyano-5-[(Z)-prop-1-enyl]pyrazin-2-amine is sourced from PubChem (CID 165160309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).