N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide

C12H9N5O4 — CID 3127347

IUPACN'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cnccn1
InChIInChI=1S/C12H9N5O4/c18-11(8-3-1-2-4-10(8)17(20)21)15-16-12(19)9-7-13-5-6-14-9/h1-7H,(H,15,18)(H,16,19)
InChIKeyFKKYYOCRHBFNMW-UHFFFAOYSA-N
MW287.24 g/mol
LogP0.46
Rot. Bonds3

About N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide

N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide (PubChem CID 3127347) has the molecular formula C12H9N5O4 and a molecular weight of 287.24 g/mol. Its IUPAC name is N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide
PubChem CID3127347
Molecular FormulaC12H9N5O4
Molecular Weight287.24 g/mol
Exact Mass287.07
IUPAC NameN'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cnccn1
InChIInChI=1S/C12H9N5O4/c18-11(8-3-1-2-4-10(8)17(20)21)15-16-12(19)9-7-13-5-6-14-9/h1-7H,(H,15,18)(H,16,19)
InChIKeyFKKYYOCRHBFNMW-UHFFFAOYSA-N
XLogP0.46
TPSA127.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N'-(2-methylbenzoyl)pyrazine-2-carbohydrazide
CID 793891
N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide
CID 47249635
[(2-nitrobenzoyl)amino]urea
CID 61061190
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6506022
[(2-nitrobenzoyl)amino]thiourea
CID 65216747
N'-tert-butyl-2-nitrobenzohydrazide
CID 15617770
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
5-bromo-2-methylsulfonyl-N'-(2-nitrobenzoyl)pyrimidine-4-carbohydrazide
CID 35572801
5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide
CID 5121277
2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide
CID 5154490
N-(6-chloro-3-nitro-2-pyridinyl)pyrazine-2-carboxamide
CID 104820251
N'-(2-bromopropanoyl)-2-nitrobenzohydrazide
CID 3809128

Frequently Asked Questions

What is the IUPAC name of N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide?
The IUPAC name of N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide (CID 3127347) is N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide?
The canonical SMILES for N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide is O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cnccn1.
What is the InChIKey of N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide?
The InChIKey is FKKYYOCRHBFNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O4/c18-11(8-3-1-2-4-10(8)17(20)21)15-16-12(19)9-7-13-5-6-14-9/h1-7H,(H,15,18)(H,16,19).
What are the key properties of N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide?
N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide has a molecular weight of 287.24 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide is sourced from PubChem (CID 3127347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).