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

C6H10N4O3 — CID 43424211

IUPAC6-(2-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O3/c1-3(11)2-7-4-5(12)8-6(13)10-9-4/h3,11H,2H2,1H3,(H,7,9)(H2,8,10,12,13)
InChIKeyBQMFFHQARLMLEE-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.75
Rot. Bonds3

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

6-(2-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 43424211) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is 6-(2-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID43424211
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name6-(2-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O3/c1-3(11)2-7-4-5(12)8-6(13)10-9-4/h3,11H,2H2,1H3,(H,7,9)(H2,8,10,12,13)
InChIKeyBQMFFHQARLMLEE-UHFFFAOYSA-N
XLogP-1.75
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione (CID 43424211) is 6-(2-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione is CC(O)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(2-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is BQMFFHQARLMLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-3(11)2-7-4-5(12)8-6(13)10-9-4/h3,11H,2H2,1H3,(H,7,9)(H2,8,10,12,13).
What are the key properties of 6-(2-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 186.17 g/mol, XLogP of -1.75, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43424211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).