4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide

C9H15N5OS — CID 106679440

IUPAC4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide
SMILESCC(CCC(=O)NN)Sc1nccnc1N
InChIInChI=1S/C9H15N5OS/c1-6(2-3-7(15)14-11)16-9-8(10)12-4-5-13-9/h4-6H,2-3,11H2,1H3,(H2,10,12)(H,14,15)
InChIKeyWMYLNKIRTKFDPN-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.31
Rot. Bonds5

About 4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide

4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide (PubChem CID 106679440) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide.

Molecular Properties

Compound Name4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide
PubChem CID106679440
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide
SMILESCC(CCC(=O)NN)Sc1nccnc1N
InChIInChI=1S/C9H15N5OS/c1-6(2-3-7(15)14-11)16-9-8(10)12-4-5-13-9/h4-6H,2-3,11H2,1H3,(H2,10,12)(H,14,15)
InChIKeyWMYLNKIRTKFDPN-UHFFFAOYSA-N
XLogP0.31
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide?
The IUPAC name of 4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide (CID 106679440) is 4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide.
What is the SMILES notation for 4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide?
The canonical SMILES for 4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide is CC(CCC(=O)NN)Sc1nccnc1N.
What is the InChIKey of 4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide?
The InChIKey is WMYLNKIRTKFDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-6(2-3-7(15)14-11)16-9-8(10)12-4-5-13-9/h4-6H,2-3,11H2,1H3,(H2,10,12)(H,14,15).
What are the key properties of 4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide?
4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide has a molecular weight of 241.32 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide is sourced from PubChem (CID 106679440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).