5-bromo-6-(trifluoromethyl)pyrazin-2-amine;formohydrazide

C6H7BrF3N5O — CID 174730170

IUPAC5-bromo-6-(trifluoromethyl)pyrazin-2-amine;formohydrazide
SMILESNNC=O.Nc1cnc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C5H3BrF3N3.CH4N2O/c6-4-3(5(7,8)9)12-2(10)1-11-4;2-3-1-4/h1H,(H2,10,12);1H,2H2,(H,3,4)
InChIKeyUIYBOBDRBKEGNU-UHFFFAOYSA-N
MW302.05 g/mol
LogP0.45
Rot. Bonds1

About 5-bromo-6-(trifluoromethyl)pyrazin-2-amine;formohydrazide

5-bromo-6-(trifluoromethyl)pyrazin-2-amine;formohydrazide (PubChem CID 174730170) has the molecular formula C6H7BrF3N5O and a molecular weight of 302.05 g/mol. Its IUPAC name is 5-bromo-6-(trifluoromethyl)pyrazin-2-amine;formohydrazide.

Molecular Properties

Compound Name5-bromo-6-(trifluoromethyl)pyrazin-2-amine;formohydrazide
PubChem CID174730170
Molecular FormulaC6H7BrF3N5O
Molecular Weight302.05 g/mol
Exact Mass300.98
IUPAC Name5-bromo-6-(trifluoromethyl)pyrazin-2-amine;formohydrazide
SMILESNNC=O.Nc1cnc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C5H3BrF3N3.CH4N2O/c6-4-3(5(7,8)9)12-2(10)1-11-4;2-3-1-4/h1H,(H2,10,12);1H,2H2,(H,3,4)
InChIKeyUIYBOBDRBKEGNU-UHFFFAOYSA-N
XLogP0.45
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.05
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-5-(trifluoromethyl)pyrazin-2-amine
CID 123697128
2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 119011244
5-(4-bromobut-1-enyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 170498124
6-chloro-3-(trifluoromethyl)pyrazin-2-amine
CID 134818825
7-(trifluoromethyl)quinoxalin-2-amine
CID 21313066
2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine
CID 130102000
5-bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 118999839
2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde
CID 83900185
quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 174627542
3-bromo-N-methyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline;ethane;formohydrazide
CID 144784532
5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde
CID 178073385
5-bromo-2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 82374751

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(trifluoromethyl)pyrazin-2-amine;formohydrazide?
The IUPAC name of 5-bromo-6-(trifluoromethyl)pyrazin-2-amine;formohydrazide (CID 174730170) is 5-bromo-6-(trifluoromethyl)pyrazin-2-amine;formohydrazide.
What is the SMILES notation for 5-bromo-6-(trifluoromethyl)pyrazin-2-amine;formohydrazide?
The canonical SMILES for 5-bromo-6-(trifluoromethyl)pyrazin-2-amine;formohydrazide is NNC=O.Nc1cnc(Br)c(C(F)(F)F)n1.
What is the InChIKey of 5-bromo-6-(trifluoromethyl)pyrazin-2-amine;formohydrazide?
The InChIKey is UIYBOBDRBKEGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF3N3.CH4N2O/c6-4-3(5(7,8)9)12-2(10)1-11-4;2-3-1-4/h1H,(H2,10,12);1H,2H2,(H,3,4).
What are the key properties of 5-bromo-6-(trifluoromethyl)pyrazin-2-amine;formohydrazide?
5-bromo-6-(trifluoromethyl)pyrazin-2-amine;formohydrazide has a molecular weight of 302.05 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(trifluoromethyl)pyrazin-2-amine;formohydrazide is sourced from PubChem (CID 174730170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).