[4-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-yl]hydrazine

C7H11N9OS — CID 80921674

IUPAC[4-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(Sc2nnnn2C)n1
InChIInChI=1S/C7H11N9OS/c1-3-17-5-9-4(12-8)10-6(11-5)18-7-13-14-15-16(7)2/h3,8H2,1-2H3,(H,9,10,11,12)
InChIKeyLSXFYTQXOQDDTD-UHFFFAOYSA-N
MW269.29 g/mol
LogP-0.77
Rot. Bonds5

About [4-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-yl]hydrazine

[4-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80921674) has the molecular formula C7H11N9OS and a molecular weight of 269.29 g/mol. Its IUPAC name is [4-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-yl]hydrazine
PubChem CID80921674
Molecular FormulaC7H11N9OS
Molecular Weight269.29 g/mol
Exact Mass269.08
IUPAC Name[4-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(Sc2nnnn2C)n1
InChIInChI=1S/C7H11N9OS/c1-3-17-5-9-4(12-8)10-6(11-5)18-7-13-14-15-16(7)2/h3,8H2,1-2H3,(H,9,10,11,12)
InChIKeyLSXFYTQXOQDDTD-UHFFFAOYSA-N
XLogP-0.77
TPSA129.55 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.29
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-yl]hydrazine (CID 80921674) is [4-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-yl]hydrazine is CCOc1nc(NN)nc(Sc2nnnn2C)n1.
What is the InChIKey of [4-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is LSXFYTQXOQDDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N9OS/c1-3-17-5-9-4(12-8)10-6(11-5)18-7-13-14-15-16(7)2/h3,8H2,1-2H3,(H,9,10,11,12).
What are the key properties of [4-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-yl]hydrazine?
[4-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 269.29 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80921674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).