6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione

C7H11N5O3 — CID 78913019

IUPAC6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NN2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C7H11N5O3/c13-6-5(9-10-7(14)8-6)11-12-1-3-15-4-2-12/h1-4H2,(H,9,11)(H2,8,10,13,14)
InChIKeyZKHHINTYLUTSRZ-UHFFFAOYSA-N
MW213.20 g/mol
LogP-1.88
Rot. Bonds2

About 6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione

6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 78913019) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is 6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID78913019
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NN2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C7H11N5O3/c13-6-5(9-10-7(14)8-6)11-12-1-3-15-4-2-12/h1-4H2,(H,9,11)(H2,8,10,13,14)
InChIKeyZKHHINTYLUTSRZ-UHFFFAOYSA-N
XLogP-1.88
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione (CID 78913019) is 6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NN2CCOCC2)c(=O)[nH]1.
What is the InChIKey of 6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is ZKHHINTYLUTSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c13-6-5(9-10-7(14)8-6)11-12-1-3-15-4-2-12/h1-4H2,(H,9,11)(H2,8,10,13,14).
What are the key properties of 6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione?
6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 213.20 g/mol, XLogP of -1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 78913019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).