6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione

C8H13N5O3 — CID 61338377

IUPAC6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione
SMILESNCC1CN(c2n[nH]c(=O)[nH]c2=O)CCO1
InChIInChI=1S/C8H13N5O3/c9-3-5-4-13(1-2-16-5)6-7(14)10-8(15)12-11-6/h5H,1-4,9H2,(H2,10,12,14,15)
InChIKeyJYJFDSIPFPFFNY-UHFFFAOYSA-N
MW227.22 g/mol
LogP-2.38
Rot. Bonds2

About 6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione

6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 61338377) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione
PubChem CID61338377
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione
SMILESNCC1CN(c2n[nH]c(=O)[nH]c2=O)CCO1
InChIInChI=1S/C8H13N5O3/c9-3-5-4-13(1-2-16-5)6-7(14)10-8(15)12-11-6/h5H,1-4,9H2,(H2,10,12,14,15)
InChIKeyJYJFDSIPFPFFNY-UHFFFAOYSA-N
XLogP-2.38
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-2.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione (CID 61338377) is 6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione is NCC1CN(c2n[nH]c(=O)[nH]c2=O)CCO1.
What is the InChIKey of 6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is JYJFDSIPFPFFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c9-3-5-4-13(1-2-16-5)6-7(14)10-8(15)12-11-6/h5H,1-4,9H2,(H2,10,12,14,15).
What are the key properties of 6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione?
6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 227.22 g/mol, XLogP of -2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61338377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).