6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrazin-2-amine

C8H12F3N5 — CID 115523287

IUPAC6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrazin-2-amine
SMILESNNc1cncc(NCCCC(F)(F)F)n1
InChIInChI=1S/C8H12F3N5/c9-8(10,11)2-1-3-14-6-4-13-5-7(15-6)16-12/h4-5H,1-3,12H2,(H2,14,15,16)
InChIKeyKNMOSCNGKRDTNA-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.52
Rot. Bonds5

About 6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrazin-2-amine

6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrazin-2-amine (PubChem CID 115523287) has the molecular formula C8H12F3N5 and a molecular weight of 235.21 g/mol. Its IUPAC name is 6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrazin-2-amine
PubChem CID115523287
Molecular FormulaC8H12F3N5
Molecular Weight235.21 g/mol
Exact Mass235.10
IUPAC Name6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrazin-2-amine
SMILESNNc1cncc(NCCCC(F)(F)F)n1
InChIInChI=1S/C8H12F3N5/c9-8(10,11)2-1-3-14-6-4-13-5-7(15-6)16-12/h4-5H,1-3,12H2,(H2,14,15,16)
InChIKeyKNMOSCNGKRDTNA-UHFFFAOYSA-N
XLogP1.52
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrazin-2-amine?
The IUPAC name of 6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrazin-2-amine (CID 115523287) is 6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrazin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrazin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrazin-2-amine is NNc1cncc(NCCCC(F)(F)F)n1.
What is the InChIKey of 6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrazin-2-amine?
The InChIKey is KNMOSCNGKRDTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5/c9-8(10,11)2-1-3-14-6-4-13-5-7(15-6)16-12/h4-5H,1-3,12H2,(H2,14,15,16).
What are the key properties of 6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrazin-2-amine?
6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrazin-2-amine has a molecular weight of 235.21 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrazin-2-amine is sourced from PubChem (CID 115523287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).