[4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine

C11H20N6OS — CID 114238717

IUPAC[4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(N2CCCC(SC)CC2)n1
InChIInChI=1S/C11H20N6OS/c1-18-11-14-9(16-12)13-10(15-11)17-6-3-4-8(19-2)5-7-17/h8H,3-7,12H2,1-2H3,(H,13,14,15,16)
InChIKeyCHMCRUNYJJAHGW-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.89
Rot. Bonds4

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

[4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 114238717) has the molecular formula C11H20N6OS and a molecular weight of 284.39 g/mol. Its IUPAC name is [4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID114238717
Molecular FormulaC11H20N6OS
Molecular Weight284.39 g/mol
Exact Mass284.14
IUPAC Name[4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(N2CCCC(SC)CC2)n1
InChIInChI=1S/C11H20N6OS/c1-18-11-14-9(16-12)13-10(15-11)17-6-3-4-8(19-2)5-7-17/h8H,3-7,12H2,1-2H3,(H,13,14,15,16)
InChIKeyCHMCRUNYJJAHGW-UHFFFAOYSA-N
XLogP0.89
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.89
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'}

Analyze [4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80907116
[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80914000
[4-methoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80927925
[1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 112629745
[4-(2,6-dimethylthiomorpholin-4-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912272
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80899588
(4-cyclohexyloxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80905831
4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one
CID 80931369
[4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80929797
2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108983
[4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine
CID 112750748
ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate
CID 107877882

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine (CID 114238717) is [4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine is COc1nc(NN)nc(N2CCCC(SC)CC2)n1.
What is the InChIKey of [4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is CHMCRUNYJJAHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6OS/c1-18-11-14-9(16-12)13-10(15-11)17-6-3-4-8(19-2)5-7-17/h8H,3-7,12H2,1-2H3,(H,13,14,15,16).
What are the key properties of [4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine?
[4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 284.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 114238717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).