5-[(3E)-6-fluorohexa-1,3,5-trien-3-yl]pyrazin-2-amine

C10H10FN3 — CID 173489549

IUPAC5-[(3E)-6-fluorohexa-1,3,5-trien-3-yl]pyrazin-2-amine
SMILESC=C/C(=C\C=CF)c1cnc(N)cn1
InChIInChI=1S/C10H10FN3/c1-2-8(4-3-5-11)9-6-14-10(12)7-13-9/h2-7H,1H2,(H2,12,14)/b5-3?,8-4+
InChIKeyIFZIMESUSRFNQZ-ZDUSDAAASA-N
MW191.21 g/mol
LogP2.11
Rot. Bonds3

About 5-[(3E)-6-fluorohexa-1,3,5-trien-3-yl]pyrazin-2-amine

5-[(3E)-6-fluorohexa-1,3,5-trien-3-yl]pyrazin-2-amine (PubChem CID 173489549) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 5-[(3E)-6-fluorohexa-1,3,5-trien-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[(3E)-6-fluorohexa-1,3,5-trien-3-yl]pyrazin-2-amine
PubChem CID173489549
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name5-[(3E)-6-fluorohexa-1,3,5-trien-3-yl]pyrazin-2-amine
SMILESC=C/C(=C\C=CF)c1cnc(N)cn1
InChIInChI=1S/C10H10FN3/c1-2-8(4-3-5-11)9-6-14-10(12)7-13-9/h2-7H,1H2,(H2,12,14)/b5-3?,8-4+
InChIKeyIFZIMESUSRFNQZ-ZDUSDAAASA-N
XLogP2.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3E)-6-fluorohexa-1,3,5-trien-3-yl]pyrazin-2-amine?
The IUPAC name of 5-[(3E)-6-fluorohexa-1,3,5-trien-3-yl]pyrazin-2-amine (CID 173489549) is 5-[(3E)-6-fluorohexa-1,3,5-trien-3-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[(3E)-6-fluorohexa-1,3,5-trien-3-yl]pyrazin-2-amine?
The canonical SMILES for 5-[(3E)-6-fluorohexa-1,3,5-trien-3-yl]pyrazin-2-amine is C=C/C(=C\C=CF)c1cnc(N)cn1.
What is the InChIKey of 5-[(3E)-6-fluorohexa-1,3,5-trien-3-yl]pyrazin-2-amine?
The InChIKey is IFZIMESUSRFNQZ-ZDUSDAAASA-N. The full InChI is InChI=1S/C10H10FN3/c1-2-8(4-3-5-11)9-6-14-10(12)7-13-9/h2-7H,1H2,(H2,12,14)/b5-3?,8-4+.
What are the key properties of 5-[(3E)-6-fluorohexa-1,3,5-trien-3-yl]pyrazin-2-amine?
5-[(3E)-6-fluorohexa-1,3,5-trien-3-yl]pyrazin-2-amine has a molecular weight of 191.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3E)-6-fluorohexa-1,3,5-trien-3-yl]pyrazin-2-amine is sourced from PubChem (CID 173489549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).