N'-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)acetohydrazide

C9H11N5O3S — CID 58009793

IUPACN'-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)acetohydrazide
SMILESCC(=O)NNc1cnc2c(ccn2S(C)(=O)=O)n1
InChIInChI=1S/C9H11N5O3S/c1-6(15)12-13-8-5-10-9-7(11-8)3-4-14(9)18(2,16)17/h3-5H,1-2H3,(H,11,13)(H,12,15)
InChIKeyNTZHPQPIFDODOJ-UHFFFAOYSA-N
MW269.29 g/mol
LogP-0.30
Rot. Bonds3

About N'-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)acetohydrazide

N'-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)acetohydrazide (PubChem CID 58009793) has the molecular formula C9H11N5O3S and a molecular weight of 269.29 g/mol. Its IUPAC name is N'-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)acetohydrazide
PubChem CID58009793
Molecular FormulaC9H11N5O3S
Molecular Weight269.29 g/mol
Exact Mass269.06
IUPAC NameN'-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)acetohydrazide
SMILESCC(=O)NNc1cnc2c(ccn2S(C)(=O)=O)n1
InChIInChI=1S/C9H11N5O3S/c1-6(15)12-13-8-5-10-9-7(11-8)3-4-14(9)18(2,16)17/h3-5H,1-2H3,(H,11,13)(H,12,15)
InChIKeyNTZHPQPIFDODOJ-UHFFFAOYSA-N
XLogP-0.30
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)acetohydrazide?
The IUPAC name of N'-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)acetohydrazide (CID 58009793) is N'-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)acetohydrazide.
What is the SMILES notation for N'-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)acetohydrazide?
The canonical SMILES for N'-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)acetohydrazide is CC(=O)NNc1cnc2c(ccn2S(C)(=O)=O)n1.
What is the InChIKey of N'-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)acetohydrazide?
The InChIKey is NTZHPQPIFDODOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3S/c1-6(15)12-13-8-5-10-9-7(11-8)3-4-14(9)18(2,16)17/h3-5H,1-2H3,(H,11,13)(H,12,15).
What are the key properties of N'-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)acetohydrazide?
N'-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)acetohydrazide has a molecular weight of 269.29 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)acetohydrazide is sourced from PubChem (CID 58009793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).