5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C12H10F3N5O — CID 107377456

IUPAC5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C12H10F3N5O/c13-12(14,15)7-2-1-3-8(4-7)19-11(21)9-5-18-10(20-16)6-17-9/h1-6H,16H2,(H,18,20)(H,19,21)
InChIKeyNPZZWTIRXFFBGJ-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.03
Rot. Bonds3

About 5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 107377456) has the molecular formula C12H10F3N5O and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID107377456
Molecular FormulaC12H10F3N5O
Molecular Weight297.24 g/mol
Exact Mass297.08
IUPAC Name5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C12H10F3N5O/c13-12(14,15)7-2-1-3-8(4-7)19-11(21)9-5-18-10(20-16)6-17-9/h1-6H,16H2,(H,18,20)(H,19,21)
InChIKeyNPZZWTIRXFFBGJ-UHFFFAOYSA-N
XLogP2.03
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.03
H-Bond Donors ≤ 53
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

5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289576
N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292840
5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109280985
5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109283161
5-hydrazinyl-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 107377927
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
5-anilino-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289577
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81240010
5-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide
CID 107378182
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109200292
3-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 105071549

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 107377456) is 5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is NNc1cnc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is NPZZWTIRXFFBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O/c13-12(14,15)7-2-1-3-8(4-7)19-11(21)9-5-18-10(20-16)6-17-9/h1-6H,16H2,(H,18,20)(H,19,21).
What are the key properties of 5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 297.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107377456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).