3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide

C11H10N6O3 — CID 121414999

IUPAC3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1NNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N6O3/c12-10(18)9-11(14-6-5-13-9)16-15-7-3-1-2-4-8(7)17(19)20/h1-6,15H,(H2,12,18)(H,14,16)
InChIKeyCQNLCKDRJWALLN-UHFFFAOYSA-N
MW274.24 g/mol
LogP0.92
Rot. Bonds5

About 3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide

3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide (PubChem CID 121414999) has the molecular formula C11H10N6O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide
PubChem CID121414999
Molecular FormulaC11H10N6O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1NNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N6O3/c12-10(18)9-11(14-6-5-13-9)16-15-7-3-1-2-4-8(7)17(19)20/h1-6,15H,(H2,12,18)(H,14,16)
InChIKeyCQNLCKDRJWALLN-UHFFFAOYSA-N
XLogP0.92
TPSA136.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

carbamic acid;N-methyl-2-nitroaniline
CID 175546963
5-(2-nitroanilino)pyrazine-2-carboxamide
CID 58993790
sodium;2-nitrobenzamide;chloride;hydrochloride
CID 67948148
1-chloro-2-(2-nitrophenyl)hydrazine
CID 88943642
N'-(2-nitrophenyl)benzohydrazide
CID 3718054
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2-nitrophenyl)hydrazine
CID 141438327
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
N-(2-nitroanilino)formamide
CID 3674192
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide
CID 47290749
(E)-N'-(2-nitrophenyl)-3-phenylprop-2-enehydrazide
CID 6132769

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide (CID 121414999) is 3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide is NC(=O)c1nccnc1NNc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide?
The InChIKey is CQNLCKDRJWALLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O3/c12-10(18)9-11(14-6-5-13-9)16-15-7-3-1-2-4-8(7)17(19)20/h1-6,15H,(H2,12,18)(H,14,16).
What are the key properties of 3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide?
3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide has a molecular weight of 274.24 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 121414999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).