[5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine

C10H12BrN7O2S — CID 64576801

IUPAC[5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine
SMILESNNc1ncc(Br)cc1S(=O)(=O)N1CCn2cnnc2C1
InChIInChI=1S/C10H12BrN7O2S/c11-7-3-8(10(15-12)13-4-7)21(19,20)18-2-1-17-6-14-16-9(17)5-18/h3-4,6H,1-2,5,12H2,(H,13,15)
InChIKeyHEIGJYRBHKQQFX-UHFFFAOYSA-N
MW374.22 g/mol
LogP-0.07
Rot. Bonds3

About [5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine

[5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine (PubChem CID 64576801) has the molecular formula C10H12BrN7O2S and a molecular weight of 374.22 g/mol. Its IUPAC name is [5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine
PubChem CID64576801
Molecular FormulaC10H12BrN7O2S
Molecular Weight374.22 g/mol
Exact Mass373.00
IUPAC Name[5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine
SMILESNNc1ncc(Br)cc1S(=O)(=O)N1CCn2cnnc2C1
InChIInChI=1S/C10H12BrN7O2S/c11-7-3-8(10(15-12)13-4-7)21(19,20)18-2-1-17-6-14-16-9(17)5-18/h3-4,6H,1-2,5,12H2,(H,13,15)
InChIKeyHEIGJYRBHKQQFX-UHFFFAOYSA-N
XLogP-0.07
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 5-0.07
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 [5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine?
The IUPAC name of [5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine (CID 64576801) is [5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine is NNc1ncc(Br)cc1S(=O)(=O)N1CCn2cnnc2C1.
What is the InChIKey of [5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine?
The InChIKey is HEIGJYRBHKQQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN7O2S/c11-7-3-8(10(15-12)13-4-7)21(19,20)18-2-1-17-6-14-16-9(17)5-18/h3-4,6H,1-2,5,12H2,(H,13,15).
What are the key properties of [5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine?
[5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine has a molecular weight of 374.22 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 64576801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).