4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one

C8H13N5O2 — CID 57264933

IUPAC4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one
SMILESNc1ncn(CC2COCCN2)c(=O)n1
InChIInChI=1S/C8H13N5O2/c9-7-11-5-13(8(14)12-7)3-6-4-15-2-1-10-6/h5-6,10H,1-4H2,(H2,9,12,14)
InChIKeyGFPMCJQFQPPWSA-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.79
Rot. Bonds2

About 4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one

4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one (PubChem CID 57264933) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one
PubChem CID57264933
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one
SMILESNc1ncn(CC2COCCN2)c(=O)n1
InChIInChI=1S/C8H13N5O2/c9-7-11-5-13(8(14)12-7)3-6-4-15-2-1-10-6/h5-6,10H,1-4H2,(H2,9,12,14)
InChIKeyGFPMCJQFQPPWSA-UHFFFAOYSA-N
XLogP-1.79
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-1-[(2-methylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-one
CID 57199729
4-(morpholin-3-ylmethyl)pyrimidin-2-amine
CID 83847459
4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione
CID 103549560
5,6-difluoro-2-(morpholin-3-ylmethyl)isoindole-1,3-dione
CID 103549626
3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
CID 103549624
6-amino-1-(morpholin-3-ylmethyl)-3,4-dihydroquinolin-2-one
CID 115237843
2-[[(3R)-morpholin-3-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 175850931
3-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 165375298
2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one
CID 176684856
4-amino-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-1,3,5-triazin-2-one
CID 57241906
3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one
CID 83846886
3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
CID 18915160

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one (CID 57264933) is 4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one is Nc1ncn(CC2COCCN2)c(=O)n1.
What is the InChIKey of 4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one?
The InChIKey is GFPMCJQFQPPWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-7-11-5-13(8(14)12-7)3-6-4-15-2-1-10-6/h5-6,10H,1-4H2,(H2,9,12,14).
What are the key properties of 4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one?
4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one has a molecular weight of 211.22 g/mol, XLogP of -1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 57264933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).