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

C10H19N5OS — CID 80923930

IUPAC(4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
SMILESCCCOc1nc(NN)nc(SC(C)CC)n1
InChIInChI=1S/C10H19N5OS/c1-4-6-16-9-12-8(15-11)13-10(14-9)17-7(3)5-2/h7H,4-6,11H2,1-3H3,(H,12,13,14,15)
InChIKeyBXBQJYNJMZONBI-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.84
Rot. Bonds7

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

(4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80923930) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is (4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
PubChem CID80923930
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name(4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
SMILESCCCOc1nc(NN)nc(SC(C)CC)n1
InChIInChI=1S/C10H19N5OS/c1-4-6-16-9-12-8(15-11)13-10(14-9)17-7(3)5-2/h7H,4-6,11H2,1-3H3,(H,12,13,14,15)
InChIKeyBXBQJYNJMZONBI-UHFFFAOYSA-N
XLogP1.84
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 107766293
4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80887530
[4-(2-propan-2-yloxyethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911471
(4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80925478
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
N-(3-ethylpentan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911001
(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924638
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
[4-propoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
CID 80923867
4-hydrazinyl-N-(2-methoxypropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 102701967
[4-propoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80931173
N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80930026

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine (CID 80923930) is (4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine is CCCOc1nc(NN)nc(SC(C)CC)n1.
What is the InChIKey of (4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is BXBQJYNJMZONBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-4-6-16-9-12-8(15-11)13-10(14-9)17-7(3)5-2/h7H,4-6,11H2,1-3H3,(H,12,13,14,15).
What are the key properties of (4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine?
(4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 257.36 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80923930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).