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

C10H15N7S — CID 80925052

IUPAC(4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
SMILESCCC(C)Sc1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C10H15N7S/c1-3-7(2)18-10-14-8(16-11)13-9(15-10)17-6-4-5-12-17/h4-7H,3,11H2,1-2H3,(H,13,14,15,16)
InChIKeyUDRWKZFNJLWCAR-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.23
Rot. Bonds5

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

(4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80925052) has the molecular formula C10H15N7S and a molecular weight of 265.35 g/mol. Its IUPAC name is (4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
PubChem CID80925052
Molecular FormulaC10H15N7S
Molecular Weight265.35 g/mol
Exact Mass265.11
IUPAC Name(4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
SMILESCCC(C)Sc1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C10H15N7S/c1-3-7(2)18-10-14-8(16-11)13-9(15-10)17-6-4-5-12-17/h4-7H,3,11H2,1-2H3,(H,13,14,15,16)
InChIKeyUDRWKZFNJLWCAR-UHFFFAOYSA-N
XLogP1.23
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.23
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-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887003
2-butan-2-ylsulfanyl-4-chloro-6-pyrazol-1-yl-1,3,5-triazine
CID 62865603
(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-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924912
4-hydrazinyl-N-methyl-N-(2-methylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80894041
(4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925567
3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
CID 80891108
[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80930407
4-hydrazinyl-N-(2-propan-2-yloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113451062
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-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine (CID 80925052) is (4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine is CCC(C)Sc1nc(NN)nc(-n2cccn2)n1.
What is the InChIKey of (4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is UDRWKZFNJLWCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7S/c1-3-7(2)18-10-14-8(16-11)13-9(15-10)17-6-4-5-12-17/h4-7H,3,11H2,1-2H3,(H,13,14,15,16).
What are the key properties of (4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
(4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 265.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80925052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).