4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine

C8H9ClN6O2 — CID 106405451

IUPAC4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCc2ncon2)n1
InChIInChI=1S/C8H9ClN6O2/c1-2-16-8-13-6(9)12-7(14-8)10-3-5-11-4-17-15-5/h4H,2-3H2,1H3,(H,10,12,13,14)
InChIKeyOMUMDVVOGJASRS-UHFFFAOYSA-N
MW256.65 g/mol
LogP0.92
Rot. Bonds5

About 4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 106405451) has the molecular formula C8H9ClN6O2 and a molecular weight of 256.65 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID106405451
Molecular FormulaC8H9ClN6O2
Molecular Weight256.65 g/mol
Exact Mass256.05
IUPAC Name4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCc2ncon2)n1
InChIInChI=1S/C8H9ClN6O2/c1-2-16-8-13-6(9)12-7(14-8)10-3-5-11-4-17-15-5/h4H,2-3H2,1H3,(H,10,12,13,14)
InChIKeyOMUMDVVOGJASRS-UHFFFAOYSA-N
XLogP0.92
TPSA98.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.65
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine
CID 106014097
6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106412361
4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 14027402
2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 106411923
4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 106197176
4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
CID 62858893
4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63706907
4-chloro-6-ethoxy-N-[2-(furan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62857408
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62857041
6-N-ethyl-2-N,2-N-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 106411963
1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 114165069

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine (CID 106405451) is 4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NCc2ncon2)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is OMUMDVVOGJASRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN6O2/c1-2-16-8-13-6(9)12-7(14-8)10-3-5-11-4-17-15-5/h4H,2-3H2,1H3,(H,10,12,13,14).
What are the key properties of 4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 256.65 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106405451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).