(4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine

C7H13N5OS — CID 80924545

IUPAC(4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine
SMILESCCCSc1nc(NN)nc(OC)n1
InChIInChI=1S/C7H13N5OS/c1-3-4-14-7-10-5(12-8)9-6(11-7)13-2/h3-4,8H2,1-2H3,(H,9,10,11,12)
InChIKeyQPZQBHCWFATWBX-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.67
Rot. Bonds5

About (4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine

(4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80924545) has the molecular formula C7H13N5OS and a molecular weight of 215.28 g/mol. Its IUPAC name is (4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine
PubChem CID80924545
Molecular FormulaC7H13N5OS
Molecular Weight215.28 g/mol
Exact Mass215.08
IUPAC Name(4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine
SMILESCCCSc1nc(NN)nc(OC)n1
InChIInChI=1S/C7H13N5OS/c1-3-4-14-7-10-5(12-8)9-6(11-7)13-2/h3-4,8H2,1-2H3,(H,9,10,11,12)
InChIKeyQPZQBHCWFATWBX-UHFFFAOYSA-N
XLogP0.67
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.67
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-methoxy-N-methyl-6-propylsulfanyl-1,3,5-triazin-2-amine
CID 80886919
4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 80883876
[4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80930656
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine
CID 94830323
N-butyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80917120
(4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80926907
(4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80925478
4-hydrazinyl-6-methoxy-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80920216
[4-(2,2-difluoroethoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 82010197
4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine
CID 107765408
[4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80925635
4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine
CID 80883434

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine (CID 80924545) is (4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine is CCCSc1nc(NN)nc(OC)n1.
What is the InChIKey of (4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is QPZQBHCWFATWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5OS/c1-3-4-14-7-10-5(12-8)9-6(11-7)13-2/h3-4,8H2,1-2H3,(H,9,10,11,12).
What are the key properties of (4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
(4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 215.28 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80924545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).