2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol

C12H22N6O2 — CID 80778474

IUPAC2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
SMILESCCCOc1nc(N)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C12H22N6O2/c1-2-9-20-12-15-10(13)14-11(16-12)18-5-3-17(4-6-18)7-8-19/h19H,2-9H2,1H3,(H2,13,14,15,16)
InChIKeyLJRJFZOSGDDXJW-UHFFFAOYSA-N
MW282.35 g/mol
LogP-0.64
Rot. Bonds6

About 2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol

2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol (PubChem CID 80778474) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
PubChem CID80778474
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
SMILESCCCOc1nc(N)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C12H22N6O2/c1-2-9-20-12-15-10(13)14-11(16-12)18-5-3-17(4-6-18)7-8-19/h19H,2-9H2,1H3,(H2,13,14,15,16)
InChIKeyLJRJFZOSGDDXJW-UHFFFAOYSA-N
XLogP-0.64
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol (CID 80778474) is 2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol is CCCOc1nc(N)nc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol?
The InChIKey is LJRJFZOSGDDXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-2-9-20-12-15-10(13)14-11(16-12)18-5-3-17(4-6-18)7-8-19/h19H,2-9H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol?
2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol has a molecular weight of 282.35 g/mol, XLogP of -0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 80778474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).