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

C9H13N7OS2 — CID 80922768

IUPAC[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C9H13N7OS2/c1-3-4-17-7-11-6(14-10)12-8(13-7)19-9-16-15-5(2)18-9/h3-4,10H2,1-2H3,(H,11,12,13,14)
InChIKeySGXPNYUSFVYULU-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.26
Rot. Bonds6

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

[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80922768) has the molecular formula C9H13N7OS2 and a molecular weight of 299.39 g/mol. Its IUPAC name is [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80922768
Molecular FormulaC9H13N7OS2
Molecular Weight299.39 g/mol
Exact Mass299.06
IUPAC Name[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C9H13N7OS2/c1-3-4-17-7-11-6(14-10)12-8(13-7)19-9-16-15-5(2)18-9/h3-4,10H2,1-2H3,(H,11,12,13,14)
InChIKeySGXPNYUSFVYULU-UHFFFAOYSA-N
XLogP1.26
TPSA111.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-yl]hydrazine (CID 80922768) is [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-yl]hydrazine is CCCOc1nc(NN)nc(Sc2nnc(C)s2)n1.
What is the InChIKey of [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is SGXPNYUSFVYULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7OS2/c1-3-4-17-7-11-6(14-10)12-8(13-7)19-9-16-15-5(2)18-9/h3-4,10H2,1-2H3,(H,11,12,13,14).
What are the key properties of [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 299.39 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80922768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).