2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione

C6H9IN4O2 — CID 159267429

IUPAC2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione
SMILESC[C@@H](N)Cn1nc(I)c(=O)[nH]c1=O
InChIInChI=1S/C6H9IN4O2/c1-3(8)2-11-6(13)9-5(12)4(7)10-11/h3H,2,8H2,1H3,(H,9,12,13)/t3-/m1/s1
InChIKeyKXGZZULDAXORSN-GSVOUGTGSA-N
MW296.07 g/mol
LogP-1.12
Rot. Bonds2

About 2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione

2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione (PubChem CID 159267429) has the molecular formula C6H9IN4O2 and a molecular weight of 296.07 g/mol. Its IUPAC name is 2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione
PubChem CID159267429
Molecular FormulaC6H9IN4O2
Molecular Weight296.07 g/mol
Exact Mass295.98
IUPAC Name2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione
SMILESC[C@@H](N)Cn1nc(I)c(=O)[nH]c1=O
InChIInChI=1S/C6H9IN4O2/c1-3(8)2-11-6(13)9-5(12)4(7)10-11/h3H,2,8H2,1H3,(H,9,12,13)/t3-/m1/s1
InChIKeyKXGZZULDAXORSN-GSVOUGTGSA-N
XLogP-1.12
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.07
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione (CID 159267429) is 2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione is C[C@@H](N)Cn1nc(I)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione?
The InChIKey is KXGZZULDAXORSN-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H9IN4O2/c1-3(8)2-11-6(13)9-5(12)4(7)10-11/h3H,2,8H2,1H3,(H,9,12,13)/t3-/m1/s1.
What are the key properties of 2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione?
2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione has a molecular weight of 296.07 g/mol, XLogP of -1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 159267429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).