3-pyrimidin-4-ylsulfanylbutanehydrazide

C8H12N4OS — CID 63696626

IUPAC3-pyrimidin-4-ylsulfanylbutanehydrazide
SMILESCC(CC(=O)NN)Sc1ccncn1
InChIInChI=1S/C8H12N4OS/c1-6(4-7(13)12-9)14-8-2-3-10-5-11-8/h2-3,5-6H,4,9H2,1H3,(H,12,13)
InChIKeyHSJQKDNSNOXMRU-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.34
Rot. Bonds4

About 3-pyrimidin-4-ylsulfanylbutanehydrazide

3-pyrimidin-4-ylsulfanylbutanehydrazide (PubChem CID 63696626) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 3-pyrimidin-4-ylsulfanylbutanehydrazide.

Molecular Properties

Compound Name3-pyrimidin-4-ylsulfanylbutanehydrazide
PubChem CID63696626
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name3-pyrimidin-4-ylsulfanylbutanehydrazide
SMILESCC(CC(=O)NN)Sc1ccncn1
InChIInChI=1S/C8H12N4OS/c1-6(4-7(13)12-9)14-8-2-3-10-5-11-8/h2-3,5-6H,4,9H2,1H3,(H,12,13)
InChIKeyHSJQKDNSNOXMRU-UHFFFAOYSA-N
XLogP0.34
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

2-pyrimidin-4-ylsulfanylbutanehydrazide
CID 63697154
1-pyrimidin-4-ylsulfanylethanol
CID 54459485
2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine
CID 63697500
3-phenylsulfanylbutanehydrazide
CID 63582257
1-phenyl-2-pyrimidin-4-ylsulfanylpropan-1-one
CID 63698537
2-pyrimidin-4-ylacetohydrazide
CID 156821377
N'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide
CID 77017400
3-pyrimidin-4-ylsulfanylpentanimidamide
CID 63695864
3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide
CID 63591345
3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide
CID 63582668
methyl 2-(propan-2-ylamino)-3-pyrimidin-4-ylsulfanylpropanoate
CID 63695897
ethyl 2-methyl-3-pyrimidin-4-ylsulfanylpropanoate
CID 63696552

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-4-ylsulfanylbutanehydrazide?
The IUPAC name of 3-pyrimidin-4-ylsulfanylbutanehydrazide (CID 63696626) is 3-pyrimidin-4-ylsulfanylbutanehydrazide.
What is the SMILES notation for 3-pyrimidin-4-ylsulfanylbutanehydrazide?
The canonical SMILES for 3-pyrimidin-4-ylsulfanylbutanehydrazide is CC(CC(=O)NN)Sc1ccncn1.
What is the InChIKey of 3-pyrimidin-4-ylsulfanylbutanehydrazide?
The InChIKey is HSJQKDNSNOXMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-6(4-7(13)12-9)14-8-2-3-10-5-11-8/h2-3,5-6H,4,9H2,1H3,(H,12,13).
What are the key properties of 3-pyrimidin-4-ylsulfanylbutanehydrazide?
3-pyrimidin-4-ylsulfanylbutanehydrazide has a molecular weight of 212.28 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-4-ylsulfanylbutanehydrazide is sourced from PubChem (CID 63696626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).