6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide

C11H8F3N5O — CID 114036287

IUPAC6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide
SMILESNNc1cncc(C(=O)Nc2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C11H8F3N5O/c12-6-1-5(2-7(13)10(6)14)17-11(20)8-3-16-4-9(18-8)19-15/h1-4H,15H2,(H,17,20)(H,18,19)
InChIKeyIXBBNBIZQJYBJM-UHFFFAOYSA-N
MW283.21 g/mol
LogP1.43
Rot. Bonds3

About 6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide

6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide (PubChem CID 114036287) has the molecular formula C11H8F3N5O and a molecular weight of 283.21 g/mol. Its IUPAC name is 6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide
PubChem CID114036287
Molecular FormulaC11H8F3N5O
Molecular Weight283.21 g/mol
Exact Mass283.07
IUPAC Name6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide
SMILESNNc1cncc(C(=O)Nc2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C11H8F3N5O/c12-6-1-5(2-7(13)10(6)14)17-11(20)8-3-16-4-9(18-8)19-15/h1-4H,15H2,(H,17,20)(H,18,19)
InChIKeyIXBBNBIZQJYBJM-UHFFFAOYSA-N
XLogP1.43
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide
CID 114036263
5-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide
CID 107378182
5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide
CID 55152694
5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62812110
N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 107578968
6-hydrazinyl-N-(3-methylpentan-3-yl)pyrazine-2-carboxamide
CID 106331372
3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 107578975
4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 63185686
4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide
CID 82811248
6-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 114036212
2-amino-6-chloro-N-(3,4,5-trifluorophenyl)benzamide
CID 63658626
2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80647234

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide (CID 114036287) is 6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide is NNc1cncc(C(=O)Nc2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of 6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide?
The InChIKey is IXBBNBIZQJYBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N5O/c12-6-1-5(2-7(13)10(6)14)17-11(20)8-3-16-4-9(18-8)19-15/h1-4H,15H2,(H,17,20)(H,18,19).
What are the key properties of 6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide?
6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide has a molecular weight of 283.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 114036287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).