(1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine

C9H10FN3 — CID 129304225

IUPAC(1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine
SMILESC=C(F)/C=C\C(=C/N)c1ncc[nH]1
InChIInChI=1S/C9H10FN3/c1-7(10)2-3-8(6-11)9-12-4-5-13-9/h2-6H,1,11H2,(H,12,13)/b3-2-,8-6+
InChIKeyNHDSSAIVXNSHPE-LGVURTOVSA-N
MW179.20 g/mol
LogP1.75
Rot. Bonds3

About (1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine

(1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine (PubChem CID 129304225) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is (1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine
PubChem CID129304225
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name(1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine
SMILESC=C(F)/C=C\C(=C/N)c1ncc[nH]1
InChIInChI=1S/C9H10FN3/c1-7(10)2-3-8(6-11)9-12-4-5-13-9/h2-6H,1,11H2,(H,12,13)/b3-2-,8-6+
InChIKeyNHDSSAIVXNSHPE-LGVURTOVSA-N
XLogP1.75
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine (CID 129304225) is (1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine is C=C(F)/C=C\C(=C/N)c1ncc[nH]1.
What is the InChIKey of (1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine?
The InChIKey is NHDSSAIVXNSHPE-LGVURTOVSA-N. The full InChI is InChI=1S/C9H10FN3/c1-7(10)2-3-8(6-11)9-12-4-5-13-9/h2-6H,1,11H2,(H,12,13)/b3-2-,8-6+.
What are the key properties of (1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine?
(1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine has a molecular weight of 179.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 129304225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).