N'-[5-[[(2E,4Z)-5-(dimethylamino)-2-ethylpenta-2,4-dienyl]amino]pyrazin-2-yl]-2,2,2-trifluoroethanimidamide

C15H21F3N6 — CID 162583623

IUPACN'-[5-[[(2E,4Z)-5-(dimethylamino)-2-ethylpenta-2,4-dienyl]amino]pyrazin-2-yl]-2,2,2-trifluoroethanimidamide
SMILESCC/C(=C\C=C/N(C)C)CNc1cnc(/N=C(\N)C(F)(F)F)cn1
InChIInChI=1S/C15H21F3N6/c1-4-11(6-5-7-24(2)3)8-20-12-9-22-13(10-21-12)23-14(19)15(16,17)18/h5-7,9-10H,4,8H2,1-3H3,(H,20,21)(H2,19,22,23)/b7-5-,11-6+
InChIKeyGFKFMJPTMNSMAT-LAVHUSFLSA-N
MW342.37 g/mol
LogP2.85
Rot. Bonds7

About N'-[5-[[(2E,4Z)-5-(dimethylamino)-2-ethylpenta-2,4-dienyl]amino]pyrazin-2-yl]-2,2,2-trifluoroethanimidamide

N'-[5-[[(2E,4Z)-5-(dimethylamino)-2-ethylpenta-2,4-dienyl]amino]pyrazin-2-yl]-2,2,2-trifluoroethanimidamide (PubChem CID 162583623) has the molecular formula C15H21F3N6 and a molecular weight of 342.37 g/mol. Its IUPAC name is N'-[5-[[(2E,4Z)-5-(dimethylamino)-2-ethylpenta-2,4-dienyl]amino]pyrazin-2-yl]-2,2,2-trifluoroethanimidamide.

Molecular Properties

Compound NameN'-[5-[[(2E,4Z)-5-(dimethylamino)-2-ethylpenta-2,4-dienyl]amino]pyrazin-2-yl]-2,2,2-trifluoroethanimidamide
PubChem CID162583623
Molecular FormulaC15H21F3N6
Molecular Weight342.37 g/mol
Exact Mass342.18
IUPAC NameN'-[5-[[(2E,4Z)-5-(dimethylamino)-2-ethylpenta-2,4-dienyl]amino]pyrazin-2-yl]-2,2,2-trifluoroethanimidamide
SMILESCC/C(=C\C=C/N(C)C)CNc1cnc(/N=C(\N)C(F)(F)F)cn1
InChIInChI=1S/C15H21F3N6/c1-4-11(6-5-7-24(2)3)8-20-12-9-22-13(10-21-12)23-14(19)15(16,17)18/h5-7,9-10H,4,8H2,1-3H3,(H,20,21)(H2,19,22,23)/b7-5-,11-6+
InChIKeyGFKFMJPTMNSMAT-LAVHUSFLSA-N
XLogP2.85
TPSA79.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-[[(2E,4Z)-5-(dimethylamino)-2-ethylpenta-2,4-dienyl]amino]pyrazin-2-yl]-2,2,2-trifluoroethanimidamide?
The IUPAC name of N'-[5-[[(2E,4Z)-5-(dimethylamino)-2-ethylpenta-2,4-dienyl]amino]pyrazin-2-yl]-2,2,2-trifluoroethanimidamide (CID 162583623) is N'-[5-[[(2E,4Z)-5-(dimethylamino)-2-ethylpenta-2,4-dienyl]amino]pyrazin-2-yl]-2,2,2-trifluoroethanimidamide.
What is the SMILES notation for N'-[5-[[(2E,4Z)-5-(dimethylamino)-2-ethylpenta-2,4-dienyl]amino]pyrazin-2-yl]-2,2,2-trifluoroethanimidamide?
The canonical SMILES for N'-[5-[[(2E,4Z)-5-(dimethylamino)-2-ethylpenta-2,4-dienyl]amino]pyrazin-2-yl]-2,2,2-trifluoroethanimidamide is CC/C(=C\C=C/N(C)C)CNc1cnc(/N=C(\N)C(F)(F)F)cn1.
What is the InChIKey of N'-[5-[[(2E,4Z)-5-(dimethylamino)-2-ethylpenta-2,4-dienyl]amino]pyrazin-2-yl]-2,2,2-trifluoroethanimidamide?
The InChIKey is GFKFMJPTMNSMAT-LAVHUSFLSA-N. The full InChI is InChI=1S/C15H21F3N6/c1-4-11(6-5-7-24(2)3)8-20-12-9-22-13(10-21-12)23-14(19)15(16,17)18/h5-7,9-10H,4,8H2,1-3H3,(H,20,21)(H2,19,22,23)/b7-5-,11-6+.
What are the key properties of N'-[5-[[(2E,4Z)-5-(dimethylamino)-2-ethylpenta-2,4-dienyl]amino]pyrazin-2-yl]-2,2,2-trifluoroethanimidamide?
N'-[5-[[(2E,4Z)-5-(dimethylamino)-2-ethylpenta-2,4-dienyl]amino]pyrazin-2-yl]-2,2,2-trifluoroethanimidamide has a molecular weight of 342.37 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[[(2E,4Z)-5-(dimethylamino)-2-ethylpenta-2,4-dienyl]amino]pyrazin-2-yl]-2,2,2-trifluoroethanimidamide is sourced from PubChem (CID 162583623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).