4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine

C8H12N8O2 — CID 106412556

IUPAC4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NCCc2ncon2)n1
InChIInChI=1S/C8H12N8O2/c1-17-8-13-6(12-7(14-8)15-9)10-3-2-5-11-4-18-16-5/h4H,2-3,9H2,1H3,(H2,10,12,13,14,15)
InChIKeyCJMBYUYIFOBZIG-UHFFFAOYSA-N
MW252.24 g/mol
LogP-0.80
Rot. Bonds6

About 4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine

4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 106412556) has the molecular formula C8H12N8O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine
PubChem CID106412556
Molecular FormulaC8H12N8O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NCCc2ncon2)n1
InChIInChI=1S/C8H12N8O2/c1-17-8-13-6(12-7(14-8)15-9)10-3-2-5-11-4-18-16-5/h4H,2-3,9H2,1H3,(H2,10,12,13,14,15)
InChIKeyCJMBYUYIFOBZIG-UHFFFAOYSA-N
XLogP-0.80
TPSA136.90 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
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-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine (CID 106412556) is 4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine is COc1nc(NN)nc(NCCc2ncon2)n1.
What is the InChIKey of 4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is CJMBYUYIFOBZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N8O2/c1-17-8-13-6(12-7(14-8)15-9)10-3-2-5-11-4-18-16-5/h4H,2-3,9H2,1H3,(H2,10,12,13,14,15).
What are the key properties of 4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine?
4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 252.24 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 106412556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).