N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide

C9H8N6O2 — CID 141129728

IUPACN'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ncc[nH]1)c1cnccn1
InChIInChI=1S/C9H8N6O2/c16-8(6-5-10-1-2-11-6)14-15-9(17)7-12-3-4-13-7/h1-5H,(H,12,13)(H,14,16)(H,15,17)
InChIKeyLEZNCIPJOWFUSP-UHFFFAOYSA-N
MW232.20 g/mol
LogP-0.73
Rot. Bonds2

About N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide

N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide (PubChem CID 141129728) has the molecular formula C9H8N6O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide
PubChem CID141129728
Molecular FormulaC9H8N6O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC NameN'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ncc[nH]1)c1cnccn1
InChIInChI=1S/C9H8N6O2/c16-8(6-5-10-1-2-11-6)14-15-9(17)7-12-3-4-13-7/h1-5H,(H,12,13)(H,14,16)(H,15,17)
InChIKeyLEZNCIPJOWFUSP-UHFFFAOYSA-N
XLogP-0.73
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide?
The IUPAC name of N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide (CID 141129728) is N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide?
The canonical SMILES for N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide is O=C(NNC(=O)c1ncc[nH]1)c1cnccn1.
What is the InChIKey of N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide?
The InChIKey is LEZNCIPJOWFUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O2/c16-8(6-5-10-1-2-11-6)14-15-9(17)7-12-3-4-13-7/h1-5H,(H,12,13)(H,14,16)(H,15,17).
What are the key properties of N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide?
N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide has a molecular weight of 232.20 g/mol, XLogP of -0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide is sourced from PubChem (CID 141129728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).