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

C10H19N5OS — CID 80925478

IUPAC(4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
SMILESCCCOc1nc(NN)nc(SC(C)(C)C)n1
InChIInChI=1S/C10H19N5OS/c1-5-6-16-8-12-7(15-11)13-9(14-8)17-10(2,3)4/h5-6,11H2,1-4H3,(H,12,13,14,15)
InChIKeyGWAZEPKIYZSFMU-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.84
Rot. Bonds5

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

(4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80925478) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is (4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
PubChem CID80925478
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name(4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
SMILESCCCOc1nc(NN)nc(SC(C)(C)C)n1
InChIInChI=1S/C10H19N5OS/c1-5-6-16-8-12-7(15-11)13-9(14-8)17-10(2,3)4/h5-6,11H2,1-4H3,(H,12,13,14,15)
InChIKeyGWAZEPKIYZSFMU-UHFFFAOYSA-N
XLogP1.84
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
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-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80923930
(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924638
[4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 107766293
(4-tert-butylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80925733
[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82958871
4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80911461
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221
1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
CID 106294543
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol
CID 80922470
1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249090
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
N-(2-ethoxyethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80906653

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine (CID 80925478) is (4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine is CCCOc1nc(NN)nc(SC(C)(C)C)n1.
What is the InChIKey of (4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is GWAZEPKIYZSFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-5-6-16-8-12-7(15-11)13-9(14-8)17-10(2,3)4/h5-6,11H2,1-4H3,(H,12,13,14,15).
What are the key properties of (4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine?
(4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 257.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80925478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).