5-fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine

C16H24FN3 — CID 123682024

IUPAC5-fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine
SMILESC=C(C=CC)C=C1C(N)=NC=C(F)N1CC(C)CCC
InChIInChI=1S/C16H24FN3/c1-5-7-12(3)9-14-16(18)19-10-15(17)20(14)11-13(4)8-6-2/h5,7,9-10,13H,3,6,8,11H2,1-2,4H3,(H2,18,19)
InChIKeyBOAKMHUQZHWHTF-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.88
Rot. Bonds6

About 5-fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine

5-fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine (PubChem CID 123682024) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine
PubChem CID123682024
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name5-fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine
SMILESC=C(C=CC)C=C1C(N)=NC=C(F)N1CC(C)CCC
InChIInChI=1S/C16H24FN3/c1-5-7-12(3)9-14-16(18)19-10-15(17)20(14)11-13(4)8-6-2/h5,7,9-10,13H,3,6,8,11H2,1-2,4H3,(H2,18,19)
InChIKeyBOAKMHUQZHWHTF-UHFFFAOYSA-N
XLogP3.88
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3Z)-2-methylidene-5-[[[(E)-5,5,5-trifluoro-4-methylpent-3-en-2-ylidene]amino]methyl]hepta-3,5-dienimidoyl]-1-(2-methylpentyl)-2H-pyrazin-3-amine
CID 123185669
(3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine
CID 134299720
3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine
CID 154959998
N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide
CID 123139166
4-Hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine
CID 123285812
3-(3-Methylidenehex-4-en-2-ylidene)-4-pentylpyrazin-2-amine
CID 123349378
4-Hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine
CID 123598870
4-Hex-1-en-2-yl-3-hex-4-en-2-ylidenepyrazin-2-amine
CID 123784128
3-(3-Methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine
CID 123787402
3-Hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine
CID 123994608
(3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine
CID 134299729

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine?
The IUPAC name of 5-fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine (CID 123682024) is 5-fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine.
What is the SMILES notation for 5-fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine?
The canonical SMILES for 5-fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine is C=C(C=CC)C=C1C(N)=NC=C(F)N1CC(C)CCC.
What is the InChIKey of 5-fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine?
The InChIKey is BOAKMHUQZHWHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-5-7-12(3)9-14-16(18)19-10-15(17)20(14)11-13(4)8-6-2/h5,7,9-10,13H,3,6,8,11H2,1-2,4H3,(H2,18,19).
What are the key properties of 5-fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine?
5-fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine has a molecular weight of 277.39 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine is sourced from PubChem (CID 123682024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).