(6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine

C9H9N5S — CID 80926498

IUPAC(6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESNNc1cc(Sc2ccncc2)ncn1
InChIInChI=1S/C9H9N5S/c10-14-8-5-9(13-6-12-8)15-7-1-3-11-4-2-7/h1-6H,10H2,(H,12,13,14)
InChIKeyVBEXGHVBTIWMDD-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.31
Rot. Bonds3

About (6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine

(6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 80926498) has the molecular formula C9H9N5S and a molecular weight of 219.27 g/mol. Its IUPAC name is (6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID80926498
Molecular FormulaC9H9N5S
Molecular Weight219.27 g/mol
Exact Mass219.06
IUPAC Name(6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESNNc1cc(Sc2ccncc2)ncn1
InChIInChI=1S/C9H9N5S/c10-14-8-5-9(13-6-12-8)15-7-1-3-11-4-2-7/h1-6H,10H2,(H,12,13,14)
InChIKeyVBEXGHVBTIWMDD-UHFFFAOYSA-N
XLogP1.31
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 (6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine (CID 80926498) is (6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine is NNc1cc(Sc2ccncc2)ncn1.
What is the InChIKey of (6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is VBEXGHVBTIWMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5S/c10-14-8-5-9(13-6-12-8)15-7-1-3-11-4-2-7/h1-6H,10H2,(H,12,13,14).
What are the key properties of (6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
(6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 219.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80926498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).