4-[2-(2-fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine

C16H20FN5 — CID 126679898

IUPAC4-[2-(2-fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine
SMILESC=C(C)c1ccc(F)c(CCc2cc(N)nc(NN)c2N)c1
InChIInChI=1S/C16H20FN5/c1-9(2)10-5-6-13(17)11(7-10)3-4-12-8-14(18)21-16(22-20)15(12)19/h5-8H,1,3-4,19-20H2,2H3,(H3,18,21,22)
InChIKeyZDIRZVBUDSBTDN-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.49
Rot. Bonds5

About 4-[2-(2-fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine

4-[2-(2-fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 126679898) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-[2-(2-fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[2-(2-fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine
PubChem CID126679898
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name4-[2-(2-fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine
SMILESC=C(C)c1ccc(F)c(CCc2cc(N)nc(NN)c2N)c1
InChIInChI=1S/C16H20FN5/c1-9(2)10-5-6-13(17)11(7-10)3-4-12-8-14(18)21-16(22-20)15(12)19/h5-8H,1,3-4,19-20H2,2H3,(H3,18,21,22)
InChIKeyZDIRZVBUDSBTDN-UHFFFAOYSA-N
XLogP2.49
TPSA102.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2-{3-[3-(Dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine
CID 130449158
6-(2-{3-[3-(Dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine
CID 137530115
3-[(4-Methylphenyl)diazenyl]pyridine-2,6-diamine
CID 154162390
6-{2-[5-(2-Aminoethyl)-2,3-difluorophenyl]ethyl}-4-methylpyridin-2-amine
CID 168654809
3-[[4-(Trifluoromethyl)phenyl]diazenyl]pyridine-2,6-diamine
CID 178307502
4-Phenyl-3-phenyldiazenylpyridine-2,6-diamine
CID 178312609
3-[(4-Benzylphenyl)diazenyl]pyridine-2,6-diamine
CID 178314709
4-Methyl-3-phenyldiazenylpyridine-2,6-diamine
CID 178317033
[6-Phenyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 21818176
Dihydrazinylquinoline
CID 132493999
2,3-Diamino-6-(2-fluorophenyl)pyridine
CID 21956061
2,3-Diamino-6-(2,4-difluorophenyl)pyridine
CID 23154179

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[2-(2-fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine (CID 126679898) is 4-[2-(2-fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[2-(2-fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[2-(2-fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine is C=C(C)c1ccc(F)c(CCc2cc(N)nc(NN)c2N)c1.
What is the InChIKey of 4-[2-(2-fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is ZDIRZVBUDSBTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c1-9(2)10-5-6-13(17)11(7-10)3-4-12-8-14(18)21-16(22-20)15(12)19/h5-8H,1,3-4,19-20H2,2H3,(H3,18,21,22).
What are the key properties of 4-[2-(2-fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine?
4-[2-(2-fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 301.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 126679898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).