[4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine

C11H9BrN8S — CID 80928709

IUPAC[4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(Sc2ccc(Br)cn2)nc(-n2cccn2)n1
InChIInChI=1S/C11H9BrN8S/c12-7-2-3-8(14-6-7)21-11-17-9(19-13)16-10(18-11)20-5-1-4-15-20/h1-6H,13H2,(H,16,17,18,19)
InChIKeyQINYLYKUZIKTQA-UHFFFAOYSA-N
MW365.22 g/mol
LogP1.65
Rot. Bonds4

About [4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine

[4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80928709) has the molecular formula C11H9BrN8S and a molecular weight of 365.22 g/mol. Its IUPAC name is [4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
PubChem CID80928709
Molecular FormulaC11H9BrN8S
Molecular Weight365.22 g/mol
Exact Mass363.99
IUPAC Name[4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(Sc2ccc(Br)cn2)nc(-n2cccn2)n1
InChIInChI=1S/C11H9BrN8S/c12-7-2-3-8(14-6-7)21-11-17-9(19-13)16-10(18-11)20-5-1-4-15-20/h1-6H,13H2,(H,16,17,18,19)
InChIKeyQINYLYKUZIKTQA-UHFFFAOYSA-N
XLogP1.65
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine with MolForge

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Related Compounds

(4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80925697
N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80883568
[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80930407
(4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925567
(4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80921572
(4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925052
4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887907
3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol
CID 80927322
N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80929302
4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80890887
(4-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80929083
N-ethyl-4-pyrazol-1-yl-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-amine
CID 80888457

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine (CID 80928709) is [4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine is NNc1nc(Sc2ccc(Br)cn2)nc(-n2cccn2)n1.
What is the InChIKey of [4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is QINYLYKUZIKTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN8S/c12-7-2-3-8(14-6-7)21-11-17-9(19-13)16-10(18-11)20-5-1-4-15-20/h1-6H,13H2,(H,16,17,18,19).
What are the key properties of [4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
[4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 365.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80928709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).