(1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine

C10H14FN5 — CID 89168088

IUPAC(1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine
SMILESC=C(NN)/C(F)=C\C(=C/N)c1cn(C)cn1
InChIInChI=1S/C10H14FN5/c1-7(15-13)9(11)3-8(4-12)10-5-16(2)6-14-10/h3-6,15H,1,12-13H2,2H3/b8-4+,9-3+
InChIKeyNZBJZZIUVJZEHS-VBAIDPPHSA-N
MW223.25 g/mol
LogP0.55
Rot. Bonds4

About (1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine

(1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine (PubChem CID 89168088) has the molecular formula C10H14FN5 and a molecular weight of 223.25 g/mol. Its IUPAC name is (1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine
PubChem CID89168088
Molecular FormulaC10H14FN5
Molecular Weight223.25 g/mol
Exact Mass223.12
IUPAC Name(1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine
SMILESC=C(NN)/C(F)=C\C(=C/N)c1cn(C)cn1
InChIInChI=1S/C10H14FN5/c1-7(15-13)9(11)3-8(4-12)10-5-16(2)6-14-10/h3-6,15H,1,12-13H2,2H3/b8-4+,9-3+
InChIKeyNZBJZZIUVJZEHS-VBAIDPPHSA-N
XLogP0.55
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine (CID 89168088) is (1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine is C=C(NN)/C(F)=C\C(=C/N)c1cn(C)cn1.
What is the InChIKey of (1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine?
The InChIKey is NZBJZZIUVJZEHS-VBAIDPPHSA-N. The full InChI is InChI=1S/C10H14FN5/c1-7(15-13)9(11)3-8(4-12)10-5-16(2)6-14-10/h3-6,15H,1,12-13H2,2H3/b8-4+,9-3+.
What are the key properties of (1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine?
(1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine has a molecular weight of 223.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89168088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).