3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine

C11H14F2N6 — CID 114073280

IUPAC3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
SMILESNNc1nc(NCCCn2ccnc2)c(F)cc1F
InChIInChI=1S/C11H14F2N6/c12-8-6-9(13)11(18-14)17-10(8)16-2-1-4-19-5-3-15-7-19/h3,5-7H,1-2,4,14H2,(H2,16,17,18)
InChIKeyKLMYAEUUWHTIDC-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.34
Rot. Bonds6

About 3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine

3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine (PubChem CID 114073280) has the molecular formula C11H14F2N6 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
PubChem CID114073280
Molecular FormulaC11H14F2N6
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
SMILESNNc1nc(NCCCn2ccnc2)c(F)cc1F
InChIInChI=1S/C11H14F2N6/c12-8-6-9(13)11(18-14)17-10(8)16-2-1-4-19-5-3-15-7-19/h3,5-7H,1-2,4,14H2,(H2,16,17,18)
InChIKeyKLMYAEUUWHTIDC-UHFFFAOYSA-N
XLogP1.34
TPSA80.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-N-(4-imidazol-1-ylbutyl)pyrimidine-2,4-diamine
CID 80819497
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 106332450
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine
CID 80903292
6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine
CID 86305832
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 54961387
5-bromo-3-fluoro-N-(2-imidazol-1-ylethyl)pyridin-2-amine
CID 104923734
2-chloro-N-(3-imidazol-1-ylpropyl)pteridin-4-amine
CID 82459615
4-imidazol-1-ylbutylhydrazine
CID 86114724
2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine
CID 80995126

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine (CID 114073280) is 3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine is NNc1nc(NCCCn2ccnc2)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine?
The InChIKey is KLMYAEUUWHTIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N6/c12-8-6-9(13)11(18-14)17-10(8)16-2-1-4-19-5-3-15-7-19/h3,5-7H,1-2,4,14H2,(H2,16,17,18).
What are the key properties of 3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine?
3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine has a molecular weight of 268.27 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 114073280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).