(4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine

C13H13N7S — CID 80925567

IUPAC(4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
SMILESNNc1nc(SCc2ccccc2)nc(-n2cccn2)n1
InChIInChI=1S/C13H13N7S/c14-19-11-16-12(20-8-4-7-15-20)18-13(17-11)21-9-10-5-2-1-3-6-10/h1-8H,9,14H2,(H,16,17,18,19)
InChIKeyZAIRVIAFUFZQTJ-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.64
Rot. Bonds5

About (4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine

(4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80925567) has the molecular formula C13H13N7S and a molecular weight of 299.36 g/mol. Its IUPAC name is (4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
PubChem CID80925567
Molecular FormulaC13H13N7S
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC Name(4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
SMILESNNc1nc(SCc2ccccc2)nc(-n2cccn2)n1
InChIInChI=1S/C13H13N7S/c14-19-11-16-12(20-8-4-7-15-20)18-13(17-11)21-9-10-5-2-1-3-6-10/h1-8H,9,14H2,(H,16,17,18,19)
InChIKeyZAIRVIAFUFZQTJ-UHFFFAOYSA-N
XLogP1.64
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80921572
3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol
CID 80927322
(4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80925697
(4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925052
4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80872626
[4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80928709
[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80930407
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 114231525
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethanol
CID 80932632
N-methyl-4-(2-methylpropylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80892844
2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80772450
2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80902539

Frequently Asked Questions

What is the IUPAC name of (4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine (CID 80925567) is (4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine is NNc1nc(SCc2ccccc2)nc(-n2cccn2)n1.
What is the InChIKey of (4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is ZAIRVIAFUFZQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7S/c14-19-11-16-12(20-8-4-7-15-20)18-13(17-11)21-9-10-5-2-1-3-6-10/h1-8H,9,14H2,(H,16,17,18,19).
What are the key properties of (4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
(4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 299.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80925567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).