4-amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one

C9H15N5O2 — CID 57071115

IUPAC4-amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one
SMILESCC1COCCN1Cn1cnc(N)nc1=O
InChIInChI=1S/C9H15N5O2/c1-7-4-16-3-2-13(7)6-14-5-11-8(10)12-9(14)15/h5,7H,2-4,6H2,1H3,(H2,10,12,15)
InChIKeyDLIYPGDPIGXVOC-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.10
Rot. Bonds2

About 4-amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one

4-amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one (PubChem CID 57071115) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one
PubChem CID57071115
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name4-amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one
SMILESCC1COCCN1Cn1cnc(N)nc1=O
InChIInChI=1S/C9H15N5O2/c1-7-4-16-3-2-13(7)6-14-5-11-8(10)12-9(14)15/h5,7H,2-4,6H2,1H3,(H2,10,12,15)
InChIKeyDLIYPGDPIGXVOC-UHFFFAOYSA-N
XLogP-1.10
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one (CID 57071115) is 4-amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one is CC1COCCN1Cn1cnc(N)nc1=O.
What is the InChIKey of 4-amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one?
The InChIKey is DLIYPGDPIGXVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-7-4-16-3-2-13(7)6-14-5-11-8(10)12-9(14)15/h5,7H,2-4,6H2,1H3,(H2,10,12,15).
What are the key properties of 4-amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one?
4-amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one has a molecular weight of 225.25 g/mol, XLogP of -1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one is sourced from PubChem (CID 57071115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).