6-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine

C10H12FN3 — CID 146550573

IUPAC6-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine
SMILESC/C(F)=C\C=C(/C)c1ccc(N)nn1
InChIInChI=1S/C10H12FN3/c1-7(3-4-8(2)11)9-5-6-10(12)14-13-9/h3-6H,1-2H3,(H2,12,14)/b7-3+,8-4+
InChIKeyMTVYYXBZAIBXFK-FCXRPNKRSA-N
MW193.22 g/mol
LogP2.34
Rot. Bonds2

About 6-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine

6-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine (PubChem CID 146550573) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 6-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine
PubChem CID146550573
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name6-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine
SMILESC/C(F)=C\C=C(/C)c1ccc(N)nn1
InChIInChI=1S/C10H12FN3/c1-7(3-4-8(2)11)9-5-6-10(12)14-13-9/h3-6H,1-2H3,(H2,12,14)/b7-3+,8-4+
InChIKeyMTVYYXBZAIBXFK-FCXRPNKRSA-N
XLogP2.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.34
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-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine?
The IUPAC name of 6-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine (CID 146550573) is 6-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine.
What is the SMILES notation for 6-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine?
The canonical SMILES for 6-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine is C/C(F)=C\C=C(/C)c1ccc(N)nn1.
What is the InChIKey of 6-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine?
The InChIKey is MTVYYXBZAIBXFK-FCXRPNKRSA-N. The full InChI is InChI=1S/C10H12FN3/c1-7(3-4-8(2)11)9-5-6-10(12)14-13-9/h3-6H,1-2H3,(H2,12,14)/b7-3+,8-4+.
What are the key properties of 6-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine?
6-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine has a molecular weight of 193.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine is sourced from PubChem (CID 146550573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).