6-chloro-N-[(Z,4E)-4-ethylidene-7-fluorohept-5-en-3-yl]pyrazin-2-amine

C13H17ClFN3 — CID 143056606

IUPAC6-chloro-N-[(Z,4E)-4-ethylidene-7-fluorohept-5-en-3-yl]pyrazin-2-amine
SMILESC/C=C(\C=C/CF)C(CC)Nc1cncc(Cl)n1
InChIInChI=1S/C13H17ClFN3/c1-3-10(6-5-7-15)11(4-2)17-13-9-16-8-12(14)18-13/h3,5-6,8-9,11H,4,7H2,1-2H3,(H,17,18)/b6-5-,10-3+
InChIKeyFTAIFWIDEOGCSF-VMTDUWPYSA-N
MW269.75 g/mol
LogP3.79
Rot. Bonds6

About 6-chloro-N-[(Z,4E)-4-ethylidene-7-fluorohept-5-en-3-yl]pyrazin-2-amine

6-chloro-N-[(Z,4E)-4-ethylidene-7-fluorohept-5-en-3-yl]pyrazin-2-amine (PubChem CID 143056606) has the molecular formula C13H17ClFN3 and a molecular weight of 269.75 g/mol. Its IUPAC name is 6-chloro-N-[(Z,4E)-4-ethylidene-7-fluorohept-5-en-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(Z,4E)-4-ethylidene-7-fluorohept-5-en-3-yl]pyrazin-2-amine
PubChem CID143056606
Molecular FormulaC13H17ClFN3
Molecular Weight269.75 g/mol
Exact Mass269.11
IUPAC Name6-chloro-N-[(Z,4E)-4-ethylidene-7-fluorohept-5-en-3-yl]pyrazin-2-amine
SMILESC/C=C(\C=C/CF)C(CC)Nc1cncc(Cl)n1
InChIInChI=1S/C13H17ClFN3/c1-3-10(6-5-7-15)11(4-2)17-13-9-16-8-12(14)18-13/h3,5-6,8-9,11H,4,7H2,1-2H3,(H,17,18)/b6-5-,10-3+
InChIKeyFTAIFWIDEOGCSF-VMTDUWPYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.79
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 6-chloro-N-[(Z,4E)-4-ethylidene-7-fluorohept-5-en-3-yl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(Z,4E)-4-ethylidene-7-fluorohept-5-en-3-yl]pyrazin-2-amine (CID 143056606) is 6-chloro-N-[(Z,4E)-4-ethylidene-7-fluorohept-5-en-3-yl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(Z,4E)-4-ethylidene-7-fluorohept-5-en-3-yl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(Z,4E)-4-ethylidene-7-fluorohept-5-en-3-yl]pyrazin-2-amine is C/C=C(\C=C/CF)C(CC)Nc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(Z,4E)-4-ethylidene-7-fluorohept-5-en-3-yl]pyrazin-2-amine?
The InChIKey is FTAIFWIDEOGCSF-VMTDUWPYSA-N. The full InChI is InChI=1S/C13H17ClFN3/c1-3-10(6-5-7-15)11(4-2)17-13-9-16-8-12(14)18-13/h3,5-6,8-9,11H,4,7H2,1-2H3,(H,17,18)/b6-5-,10-3+.
What are the key properties of 6-chloro-N-[(Z,4E)-4-ethylidene-7-fluorohept-5-en-3-yl]pyrazin-2-amine?
6-chloro-N-[(Z,4E)-4-ethylidene-7-fluorohept-5-en-3-yl]pyrazin-2-amine has a molecular weight of 269.75 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(Z,4E)-4-ethylidene-7-fluorohept-5-en-3-yl]pyrazin-2-amine is sourced from PubChem (CID 143056606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).