[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrazin-2-yl]hydrazine

C11H15N7S — CID 80930767

IUPAC[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrazin-2-yl]hydrazine
SMILESNNc1cncc(Sc2nnc3n2CCCCC3)n1
InChIInChI=1S/C11H15N7S/c12-15-8-6-13-7-10(14-8)19-11-17-16-9-4-2-1-3-5-18(9)11/h6-7H,1-5,12H2,(H,14,15)
InChIKeyMKEUIRRIGDCKHH-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.23
Rot. Bonds3

About [6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrazin-2-yl]hydrazine

[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrazin-2-yl]hydrazine (PubChem CID 80930767) has the molecular formula C11H15N7S and a molecular weight of 277.36 g/mol. Its IUPAC name is [6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrazin-2-yl]hydrazine.

Molecular Properties

Compound Name[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrazin-2-yl]hydrazine
PubChem CID80930767
Molecular FormulaC11H15N7S
Molecular Weight277.36 g/mol
Exact Mass277.11
IUPAC Name[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrazin-2-yl]hydrazine
SMILESNNc1cncc(Sc2nnc3n2CCCCC3)n1
InChIInChI=1S/C11H15N7S/c12-15-8-6-13-7-10(14-8)19-11-17-16-9-4-2-1-3-5-18(9)11/h6-7H,1-5,12H2,(H,14,15)
InChIKeyMKEUIRRIGDCKHH-UHFFFAOYSA-N
XLogP1.23
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.23
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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Frequently Asked Questions

What is the IUPAC name of [6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrazin-2-yl]hydrazine?
The IUPAC name of [6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrazin-2-yl]hydrazine (CID 80930767) is [6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrazin-2-yl]hydrazine.
What is the SMILES notation for [6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrazin-2-yl]hydrazine?
The canonical SMILES for [6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrazin-2-yl]hydrazine is NNc1cncc(Sc2nnc3n2CCCCC3)n1.
What is the InChIKey of [6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrazin-2-yl]hydrazine?
The InChIKey is MKEUIRRIGDCKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7S/c12-15-8-6-13-7-10(14-8)19-11-17-16-9-4-2-1-3-5-18(9)11/h6-7H,1-5,12H2,(H,14,15).
What are the key properties of [6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrazin-2-yl]hydrazine?
[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrazin-2-yl]hydrazine has a molecular weight of 277.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrazin-2-yl]hydrazine is sourced from PubChem (CID 80930767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).