[4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine

C13H17N5O2S — CID 80924065

IUPAC[4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(Oc2ccc(SC)cc2)n1
InChIInChI=1S/C13H17N5O2S/c1-3-8-19-12-15-11(18-14)16-13(17-12)20-9-4-6-10(21-2)7-5-9/h4-7H,3,8,14H2,1-2H3,(H,15,16,17,18)
InChIKeyRAJSMEDLAULRIK-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.46
Rot. Bonds7

About [4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine

[4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80924065) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is [4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80924065
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name[4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(Oc2ccc(SC)cc2)n1
InChIInChI=1S/C13H17N5O2S/c1-3-8-19-12-15-11(18-14)16-13(17-12)20-9-4-6-10(21-2)7-5-9/h4-7H,3,8,14H2,1-2H3,(H,15,16,17,18)
InChIKeyRAJSMEDLAULRIK-UHFFFAOYSA-N
XLogP2.46
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.46
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-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80915901
[4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911575
4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine
CID 80879656
[4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 116806821
[4-(4-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80917858
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82958871
[4-(2-propan-2-yloxyethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911471
4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80911461
(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924638
4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80874024

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (CID 80924065) is [4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is CCCOc1nc(NN)nc(Oc2ccc(SC)cc2)n1.
What is the InChIKey of [4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is RAJSMEDLAULRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-3-8-19-12-15-11(18-14)16-13(17-12)20-9-4-6-10(21-2)7-5-9/h4-7H,3,8,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of [4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 307.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80924065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).