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

C8H13N5OS — CID 106679462

IUPAC4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide
SMILESNNC(=O)CCCSc1nccnc1N
InChIInChI=1S/C8H13N5OS/c9-7-8(12-4-3-11-7)15-5-1-2-6(14)13-10/h3-4H,1-2,5,10H2,(H2,9,11)(H,13,14)
InChIKeyDSPXKOURFOPJIX-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.08
Rot. Bonds5

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

4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide (PubChem CID 106679462) has the molecular formula C8H13N5OS and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide
PubChem CID106679462
Molecular FormulaC8H13N5OS
Molecular Weight227.29 g/mol
Exact Mass227.08
IUPAC Name4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide
SMILESNNC(=O)CCCSc1nccnc1N
InChIInChI=1S/C8H13N5OS/c9-7-8(12-4-3-11-7)15-5-1-2-6(14)13-10/h3-4H,1-2,5,10H2,(H2,9,11)(H,13,14)
InChIKeyDSPXKOURFOPJIX-UHFFFAOYSA-N
XLogP-0.08
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-pyrimidin-2-ylsulfanylbutanehydrazide
CID 63581554
4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide
CID 106678707
3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide
CID 106679190
4-pyrazin-2-ylsulfanylbutanehydrazide
CID 63580949
4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide
CID 106679440
3-(3-aminopropylsulfanyl)pyrazin-2-amine
CID 106678432
3-pent-4-ynylsulfanylpyrazin-2-amine
CID 106678637
3-decylsulfanylpyrazin-2-amine
CID 106678948
3-octylsulfanylpyrazin-2-amine
CID 106678549
2-(3-aminopyrazin-2-yl)sulfanylacetic acid
CID 106677989
3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine
CID 106679257
2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide
CID 106679046

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide?
The IUPAC name of 4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide (CID 106679462) is 4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide.
What is the SMILES notation for 4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide?
The canonical SMILES for 4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide is NNC(=O)CCCSc1nccnc1N.
What is the InChIKey of 4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide?
The InChIKey is DSPXKOURFOPJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5OS/c9-7-8(12-4-3-11-7)15-5-1-2-6(14)13-10/h3-4H,1-2,5,10H2,(H2,9,11)(H,13,14).
What are the key properties of 4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide?
4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide has a molecular weight of 227.29 g/mol, XLogP of -0.08, 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)sulfanylbutanehydrazide is sourced from PubChem (CID 106679462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).