N'-(3-chloropyrazin-2-yl)propanehydrazide

C7H9ClN4O — CID 127012228

IUPACN'-(3-chloropyrazin-2-yl)propanehydrazide
SMILESCCC(=O)NNc1nccnc1Cl
InChIInChI=1S/C7H9ClN4O/c1-2-5(13)11-12-7-6(8)9-3-4-10-7/h3-4H,2H2,1H3,(H,10,12)(H,11,13)
InChIKeyFZNAGZLSTARYKL-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.98
Rot. Bonds3

About N'-(3-chloropyrazin-2-yl)propanehydrazide

N'-(3-chloropyrazin-2-yl)propanehydrazide (PubChem CID 127012228) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is N'-(3-chloropyrazin-2-yl)propanehydrazide.

Molecular Properties

Compound NameN'-(3-chloropyrazin-2-yl)propanehydrazide
PubChem CID127012228
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC NameN'-(3-chloropyrazin-2-yl)propanehydrazide
SMILESCCC(=O)NNc1nccnc1Cl
InChIInChI=1S/C7H9ClN4O/c1-2-5(13)11-12-7-6(8)9-3-4-10-7/h3-4H,2H2,1H3,(H,10,12)(H,11,13)
InChIKeyFZNAGZLSTARYKL-UHFFFAOYSA-N
XLogP0.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
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'-(3-chloropyrazin-2-yl)propanehydrazide?
The IUPAC name of N'-(3-chloropyrazin-2-yl)propanehydrazide (CID 127012228) is N'-(3-chloropyrazin-2-yl)propanehydrazide.
What is the SMILES notation for N'-(3-chloropyrazin-2-yl)propanehydrazide?
The canonical SMILES for N'-(3-chloropyrazin-2-yl)propanehydrazide is CCC(=O)NNc1nccnc1Cl.
What is the InChIKey of N'-(3-chloropyrazin-2-yl)propanehydrazide?
The InChIKey is FZNAGZLSTARYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O/c1-2-5(13)11-12-7-6(8)9-3-4-10-7/h3-4H,2H2,1H3,(H,10,12)(H,11,13).
What are the key properties of N'-(3-chloropyrazin-2-yl)propanehydrazide?
N'-(3-chloropyrazin-2-yl)propanehydrazide has a molecular weight of 200.63 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'-(3-chloropyrazin-2-yl)propanehydrazide is sourced from PubChem (CID 127012228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).