N'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide

C8H9ClN4O — CID 134542828

IUPACN'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide
SMILESO=C(NNc1cnc(Cl)cn1)C1CC1
InChIInChI=1S/C8H9ClN4O/c9-6-3-11-7(4-10-6)12-13-8(14)5-1-2-5/h3-5H,1-2H2,(H,11,12)(H,13,14)
InChIKeyCTAOIFMNXBRZML-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.98
Rot. Bonds3

About N'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide

N'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide (PubChem CID 134542828) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is N'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide
PubChem CID134542828
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC NameN'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide
SMILESO=C(NNc1cnc(Cl)cn1)C1CC1
InChIInChI=1S/C8H9ClN4O/c9-6-3-11-7(4-10-6)12-13-8(14)5-1-2-5/h3-5H,1-2H2,(H,11,12)(H,13,14)
InChIKeyCTAOIFMNXBRZML-UHFFFAOYSA-N
XLogP0.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide?
The IUPAC name of N'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide (CID 134542828) is N'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide.
What is the SMILES notation for N'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide?
The canonical SMILES for N'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide is O=C(NNc1cnc(Cl)cn1)C1CC1.
What is the InChIKey of N'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide?
The InChIKey is CTAOIFMNXBRZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c9-6-3-11-7(4-10-6)12-13-8(14)5-1-2-5/h3-5H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of N'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide?
N'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide has a molecular weight of 212.64 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide is sourced from PubChem (CID 134542828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).