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

C8H13N9OS — CID 80921255

IUPAC[4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(Sc2nnnn2C)n1
InChIInChI=1S/C8H13N9OS/c1-3-4-18-6-10-5(13-9)11-7(12-6)19-8-14-15-16-17(8)2/h3-4,9H2,1-2H3,(H,10,11,12,13)
InChIKeyCYAIHKBLVFYJOK-UHFFFAOYSA-N
MW283.32 g/mol
LogP-0.38
Rot. Bonds6

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

[4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80921255) has the molecular formula C8H13N9OS and a molecular weight of 283.32 g/mol. Its IUPAC name is [4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80921255
Molecular FormulaC8H13N9OS
Molecular Weight283.32 g/mol
Exact Mass283.10
IUPAC Name[4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(Sc2nnnn2C)n1
InChIInChI=1S/C8H13N9OS/c1-3-4-18-6-10-5(13-9)11-7(12-6)19-8-14-15-16-17(8)2/h3-4,9H2,1-2H3,(H,10,11,12,13)
InChIKeyCYAIHKBLVFYJOK-UHFFFAOYSA-N
XLogP-0.38
TPSA129.55 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.32
LogP ≤ 5-0.38
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-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine (CID 80921255) is [4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine is CCCOc1nc(NN)nc(Sc2nnnn2C)n1.
What is the InChIKey of [4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is CYAIHKBLVFYJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N9OS/c1-3-4-18-6-10-5(13-9)11-7(12-6)19-8-14-15-16-17(8)2/h3-4,9H2,1-2H3,(H,10,11,12,13).
What are the key properties of [4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 283.32 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80921255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).