4-ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine

C9H14N4O — CID 65330205

IUPAC4-ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(C2CCCO2)n1
InChIInChI=1S/C9H14N4O/c1-2-7-11-8(13-9(10)12-7)6-4-3-5-14-6/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyYXPMBTWBVUQORD-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.87
Rot. Bonds2

About 4-ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine

4-ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 65330205) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
PubChem CID65330205
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(C2CCCO2)n1
InChIInChI=1S/C9H14N4O/c1-2-7-11-8(13-9(10)12-7)6-4-3-5-14-6/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyYXPMBTWBVUQORD-UHFFFAOYSA-N
XLogP0.87
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine (CID 65330205) is 4-ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine is CCc1nc(N)nc(C2CCCO2)n1.
What is the InChIKey of 4-ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is YXPMBTWBVUQORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-7-11-8(13-9(10)12-7)6-4-3-5-14-6/h6H,2-5H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
4-ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 194.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65330205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).