4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one

C8H12N6O2 — CID 80763853

IUPAC4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one
SMILESCOc1nc(N)nc(N2CCNC(=O)C2)n1
InChIInChI=1S/C8H12N6O2/c1-16-8-12-6(9)11-7(13-8)14-3-2-10-5(15)4-14/h2-4H2,1H3,(H,10,15)(H2,9,11,12,13)
InChIKeyXDFSTUNVMXPYCG-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.60
Rot. Bonds2

About 4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one

4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one (PubChem CID 80763853) has the molecular formula C8H12N6O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one
PubChem CID80763853
Molecular FormulaC8H12N6O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one
SMILESCOc1nc(N)nc(N2CCNC(=O)C2)n1
InChIInChI=1S/C8H12N6O2/c1-16-8-12-6(9)11-7(13-8)14-3-2-10-5(15)4-14/h2-4H2,1H3,(H,10,15)(H2,9,11,12,13)
InChIKeyXDFSTUNVMXPYCG-UHFFFAOYSA-N
XLogP-1.60
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one?
The IUPAC name of 4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one (CID 80763853) is 4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one?
The canonical SMILES for 4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one is COc1nc(N)nc(N2CCNC(=O)C2)n1.
What is the InChIKey of 4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one?
The InChIKey is XDFSTUNVMXPYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2/c1-16-8-12-6(9)11-7(13-8)14-3-2-10-5(15)4-14/h2-4H2,1H3,(H,10,15)(H2,9,11,12,13).
What are the key properties of 4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one?
4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one has a molecular weight of 224.22 g/mol, XLogP of -1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one is sourced from PubChem (CID 80763853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).