4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione

C6H10N4O2 — CID 12566096

IUPAC4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)c1n[nH]c(=O)n(N)c1=O
InChIInChI=1S/C6H10N4O2/c1-3(2)4-5(11)10(7)6(12)9-8-4/h3H,7H2,1-2H3,(H,9,12)
InChIKeyXOZWBSBPHYNGPT-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.23
Rot. Bonds1

About 4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione

4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione (PubChem CID 12566096) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione
PubChem CID12566096
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)c1n[nH]c(=O)n(N)c1=O
InChIInChI=1S/C6H10N4O2/c1-3(2)4-5(11)10(7)6(12)9-8-4/h3H,7H2,1-2H3,(H,9,12)
InChIKeyXOZWBSBPHYNGPT-UHFFFAOYSA-N
XLogP-1.23
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione (CID 12566096) is 4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione is CC(C)c1n[nH]c(=O)n(N)c1=O.
What is the InChIKey of 4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione?
The InChIKey is XOZWBSBPHYNGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-3(2)4-5(11)10(7)6(12)9-8-4/h3H,7H2,1-2H3,(H,9,12).
What are the key properties of 4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione?
4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione has a molecular weight of 170.17 g/mol, XLogP of -1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 12566096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).