2,2,2-trifluoro-N-(3-methylpyrazin-2-yl)acetohydrazide

C7H7F3N4O — CID 87889741

IUPAC2,2,2-trifluoro-N-(3-methylpyrazin-2-yl)acetohydrazide
SMILESCc1nccnc1N(N)C(=O)C(F)(F)F
InChIInChI=1S/C7H7F3N4O/c1-4-5(13-3-2-12-4)14(11)6(15)7(8,9)10/h2-3H,11H2,1H3
InChIKeyCBDJJRGNPSZRAK-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.55
Rot. Bonds1

About 2,2,2-trifluoro-N-(3-methylpyrazin-2-yl)acetohydrazide

2,2,2-trifluoro-N-(3-methylpyrazin-2-yl)acetohydrazide (PubChem CID 87889741) has the molecular formula C7H7F3N4O and a molecular weight of 220.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-methylpyrazin-2-yl)acetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-methylpyrazin-2-yl)acetohydrazide
PubChem CID87889741
Molecular FormulaC7H7F3N4O
Molecular Weight220.15 g/mol
Exact Mass220.06
IUPAC Name2,2,2-trifluoro-N-(3-methylpyrazin-2-yl)acetohydrazide
SMILESCc1nccnc1N(N)C(=O)C(F)(F)F
InChIInChI=1S/C7H7F3N4O/c1-4-5(13-3-2-12-4)14(11)6(15)7(8,9)10/h2-3H,11H2,1H3
InChIKeyCBDJJRGNPSZRAK-UHFFFAOYSA-N
XLogP0.55
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 2,2,2-trifluoro-N-(3-methylpyrazin-2-yl)acetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N-(3-methylpyrazin-2-yl)acetohydrazide (CID 87889741) is 2,2,2-trifluoro-N-(3-methylpyrazin-2-yl)acetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-methylpyrazin-2-yl)acetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-methylpyrazin-2-yl)acetohydrazide is Cc1nccnc1N(N)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-methylpyrazin-2-yl)acetohydrazide?
The InChIKey is CBDJJRGNPSZRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O/c1-4-5(13-3-2-12-4)14(11)6(15)7(8,9)10/h2-3H,11H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(3-methylpyrazin-2-yl)acetohydrazide?
2,2,2-trifluoro-N-(3-methylpyrazin-2-yl)acetohydrazide has a molecular weight of 220.15 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-methylpyrazin-2-yl)acetohydrazide is sourced from PubChem (CID 87889741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).