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

C10H15N7S — CID 80921572

IUPAC(4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
SMILESCCCCSc1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C10H15N7S/c1-2-3-7-18-10-14-8(16-11)13-9(15-10)17-6-4-5-12-17/h4-6H,2-3,7,11H2,1H3,(H,13,14,15,16)
InChIKeyQUPCAQYYHAEFIE-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.24
Rot. Bonds6

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

(4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80921572) has the molecular formula C10H15N7S and a molecular weight of 265.35 g/mol. Its IUPAC name is (4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
PubChem CID80921572
Molecular FormulaC10H15N7S
Molecular Weight265.35 g/mol
Exact Mass265.11
IUPAC Name(4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
SMILESCCCCSc1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C10H15N7S/c1-2-3-7-18-10-14-8(16-11)13-9(15-10)17-6-4-5-12-17/h4-6H,2-3,7,11H2,1H3,(H,13,14,15,16)
InChIKeyQUPCAQYYHAEFIE-UHFFFAOYSA-N
XLogP1.24
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925567
(4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925052
2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol
CID 80884988
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
N-ethyl-4-(2-methoxyethylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80884384
4-(2-methylpropylsulfanyl)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80892924
[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80930407
2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80902539
4-butylsulfanyl-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80884142
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 114231525
N-methyl-4-(2-methylpropylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80892844

Frequently Asked Questions

What is the IUPAC name of (4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine (CID 80921572) is (4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine is CCCCSc1nc(NN)nc(-n2cccn2)n1.
What is the InChIKey of (4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is QUPCAQYYHAEFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7S/c1-2-3-7-18-10-14-8(16-11)13-9(15-10)17-6-4-5-12-17/h4-6H,2-3,7,11H2,1H3,(H,13,14,15,16).
What are the key properties of (4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
(4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 265.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80921572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).