5-[(1E,3E)-1-amino-2,4-difluorohexa-1,3,5-trien-3-yl]-6-chloropyrazin-2-amine

C10H9ClF2N4 — CID 89378903

IUPAC5-[(1E,3E)-1-amino-2,4-difluorohexa-1,3,5-trien-3-yl]-6-chloropyrazin-2-amine
SMILESC=C/C(F)=C(C(\F)=C/N)/c1ncc(N)nc1Cl
InChIInChI=1S/C10H9ClF2N4/c1-2-5(12)8(6(13)3-14)9-10(11)17-7(15)4-16-9/h2-4H,1,14H2,(H2,15,17)/b6-3+,8-5-
InChIKeyQFANSVKNXOKKBU-DRZGJBBASA-N
MW258.66 g/mol
LogP2.35
Rot. Bonds3

About 5-[(1E,3E)-1-amino-2,4-difluorohexa-1,3,5-trien-3-yl]-6-chloropyrazin-2-amine

5-[(1E,3E)-1-amino-2,4-difluorohexa-1,3,5-trien-3-yl]-6-chloropyrazin-2-amine (PubChem CID 89378903) has the molecular formula C10H9ClF2N4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 5-[(1E,3E)-1-amino-2,4-difluorohexa-1,3,5-trien-3-yl]-6-chloropyrazin-2-amine.

Molecular Properties

Compound Name5-[(1E,3E)-1-amino-2,4-difluorohexa-1,3,5-trien-3-yl]-6-chloropyrazin-2-amine
PubChem CID89378903
Molecular FormulaC10H9ClF2N4
Molecular Weight258.66 g/mol
Exact Mass258.05
IUPAC Name5-[(1E,3E)-1-amino-2,4-difluorohexa-1,3,5-trien-3-yl]-6-chloropyrazin-2-amine
SMILESC=C/C(F)=C(C(\F)=C/N)/c1ncc(N)nc1Cl
InChIInChI=1S/C10H9ClF2N4/c1-2-5(12)8(6(13)3-14)9-10(11)17-7(15)4-16-9/h2-4H,1,14H2,(H2,15,17)/b6-3+,8-5-
InChIKeyQFANSVKNXOKKBU-DRZGJBBASA-N
XLogP2.35
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(1E,3E)-1-amino-2,4-difluorohexa-1,3,5-trien-3-yl]-6-chloropyrazin-2-amine?
The IUPAC name of 5-[(1E,3E)-1-amino-2,4-difluorohexa-1,3,5-trien-3-yl]-6-chloropyrazin-2-amine (CID 89378903) is 5-[(1E,3E)-1-amino-2,4-difluorohexa-1,3,5-trien-3-yl]-6-chloropyrazin-2-amine.
What is the SMILES notation for 5-[(1E,3E)-1-amino-2,4-difluorohexa-1,3,5-trien-3-yl]-6-chloropyrazin-2-amine?
The canonical SMILES for 5-[(1E,3E)-1-amino-2,4-difluorohexa-1,3,5-trien-3-yl]-6-chloropyrazin-2-amine is C=C/C(F)=C(C(\F)=C/N)/c1ncc(N)nc1Cl.
What is the InChIKey of 5-[(1E,3E)-1-amino-2,4-difluorohexa-1,3,5-trien-3-yl]-6-chloropyrazin-2-amine?
The InChIKey is QFANSVKNXOKKBU-DRZGJBBASA-N. The full InChI is InChI=1S/C10H9ClF2N4/c1-2-5(12)8(6(13)3-14)9-10(11)17-7(15)4-16-9/h2-4H,1,14H2,(H2,15,17)/b6-3+,8-5-.
What are the key properties of 5-[(1E,3E)-1-amino-2,4-difluorohexa-1,3,5-trien-3-yl]-6-chloropyrazin-2-amine?
5-[(1E,3E)-1-amino-2,4-difluorohexa-1,3,5-trien-3-yl]-6-chloropyrazin-2-amine has a molecular weight of 258.66 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E,3E)-1-amino-2,4-difluorohexa-1,3,5-trien-3-yl]-6-chloropyrazin-2-amine is sourced from PubChem (CID 89378903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).