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

C5H9N5O2 — CID 60965764

IUPAC6-(2-aminoethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESNCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H9N5O2/c6-1-2-7-3-4(11)8-5(12)10-9-3/h1-2,6H2,(H,7,9)(H2,8,10,11,12)
InChIKeyCQZSDFPZPMHNGG-UHFFFAOYSA-N
MW171.16 g/mol
LogP-2.17
Rot. Bonds3

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

6-(2-aminoethylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 60965764) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-aminoethylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID60965764
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name6-(2-aminoethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESNCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H9N5O2/c6-1-2-7-3-4(11)8-5(12)10-9-3/h1-2,6H2,(H,7,9)(H2,8,10,11,12)
InChIKeyCQZSDFPZPMHNGG-UHFFFAOYSA-N
XLogP-2.17
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-aminoethylamino)-2H-1,2,4-triazine-3,5-dione (CID 60965764) is 6-(2-aminoethylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-aminoethylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-aminoethylamino)-2H-1,2,4-triazine-3,5-dione is NCCNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(2-aminoethylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is CQZSDFPZPMHNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c6-1-2-7-3-4(11)8-5(12)10-9-3/h1-2,6H2,(H,7,9)(H2,8,10,11,12).
What are the key properties of 6-(2-aminoethylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2-aminoethylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 171.16 g/mol, XLogP of -2.17, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60965764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).