[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C10H11F3N8 — CID 106775768

IUPAC[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(N2CCn3cnnc3C2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N8/c11-10(12,13)9-16-6(18-14)3-7(17-9)20-1-2-21-5-15-19-8(21)4-20/h3,5H,1-2,4,14H2,(H,16,17,18)
InChIKeyVFFUKMWILVJIJO-UHFFFAOYSA-N
MW300.25 g/mol
LogP0.39
Rot. Bonds2

About [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106775768) has the molecular formula C10H11F3N8 and a molecular weight of 300.25 g/mol. Its IUPAC name is [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106775768
Molecular FormulaC10H11F3N8
Molecular Weight300.25 g/mol
Exact Mass300.11
IUPAC Name[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(N2CCn3cnnc3C2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N8/c11-10(12,13)9-16-6(18-14)3-7(17-9)20-1-2-21-5-15-19-8(21)4-20/h3,5H,1-2,4,14H2,(H,16,17,18)
InChIKeyVFFUKMWILVJIJO-UHFFFAOYSA-N
XLogP0.39
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 50.39
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-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106775768) is [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is NNc1cc(N2CCn3cnnc3C2)nc(C(F)(F)F)n1.
What is the InChIKey of [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is VFFUKMWILVJIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N8/c11-10(12,13)9-16-6(18-14)3-7(17-9)20-1-2-21-5-15-19-8(21)4-20/h3,5H,1-2,4,14H2,(H,16,17,18).
What are the key properties of [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 300.25 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106775768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).