6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine

C9H13N7O2 — CID 106412361

IUPAC6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCCc2ncon2)n1
InChIInChI=1S/C9H13N7O2/c1-2-17-9-14-7(10)13-8(15-9)11-4-3-6-12-5-18-16-6/h5H,2-4H2,1H3,(H3,10,11,13,14,15)
InChIKeyMRGNBSJVGXVAJP-UHFFFAOYSA-N
MW251.25 g/mol
LogP-0.11
Rot. Bonds6

About 6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 106412361) has the molecular formula C9H13N7O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID106412361
Molecular FormulaC9H13N7O2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCCc2ncon2)n1
InChIInChI=1S/C9H13N7O2/c1-2-17-9-14-7(10)13-8(15-9)11-4-3-6-12-5-18-16-6/h5H,2-4H2,1H3,(H3,10,11,13,14,15)
InChIKeyMRGNBSJVGXVAJP-UHFFFAOYSA-N
XLogP-0.11
TPSA124.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-N-ethyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 106412322
4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 106412556
6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 80778104
2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106412293
6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 103012620
4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine
CID 106405451
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80791788
6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114183130
6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80812342
4-methoxy-6-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
CID 103744798
2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771068

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 106412361) is 6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NCCc2ncon2)n1.
What is the InChIKey of 6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is MRGNBSJVGXVAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O2/c1-2-17-9-14-7(10)13-8(15-9)11-4-3-6-12-5-18-16-6/h5H,2-4H2,1H3,(H3,10,11,13,14,15).
What are the key properties of 6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 251.25 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106412361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).