6-[(2-amino-3-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione

C7H13N5O3 — CID 64539391

IUPAC6-[(2-amino-3-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(O)C(N)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H13N5O3/c1-3(13)4(8)2-9-5-6(14)10-7(15)12-11-5/h3-4,13H,2,8H2,1H3,(H,9,11)(H2,10,12,14,15)
InChIKeyZRPOWNAYUYMLCH-UHFFFAOYSA-N
MW215.21 g/mol
LogP-2.42
Rot. Bonds4

About 6-[(2-amino-3-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione

6-[(2-amino-3-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 64539391) has the molecular formula C7H13N5O3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-[(2-amino-3-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-amino-3-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID64539391
Molecular FormulaC7H13N5O3
Molecular Weight215.21 g/mol
Exact Mass215.10
IUPAC Name6-[(2-amino-3-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(O)C(N)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H13N5O3/c1-3(13)4(8)2-9-5-6(14)10-7(15)12-11-5/h3-4,13H,2,8H2,1H3,(H,9,11)(H2,10,12,14,15)
InChIKeyZRPOWNAYUYMLCH-UHFFFAOYSA-N
XLogP-2.42
TPSA136.89 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-2.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-3-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-amino-3-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 64539391) is 6-[(2-amino-3-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-amino-3-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-amino-3-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione is CC(O)C(N)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2-amino-3-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is ZRPOWNAYUYMLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3/c1-3(13)4(8)2-9-5-6(14)10-7(15)12-11-5/h3-4,13H,2,8H2,1H3,(H,9,11)(H2,10,12,14,15).
What are the key properties of 6-[(2-amino-3-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(2-amino-3-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 215.21 g/mol, XLogP of -2.42, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-3-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 64539391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).