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

C6H10N4O2 — CID 43411303

IUPAC6-(propan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O2/c1-3(2)7-4-5(11)8-6(12)10-9-4/h3H,1-2H3,(H,7,9)(H2,8,10,11,12)
InChIKeyARUWHOSIQAIAPD-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.72
Rot. Bonds2

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

6-(propan-2-ylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 43411303) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 6-(propan-2-ylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(propan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID43411303
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name6-(propan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O2/c1-3(2)7-4-5(11)8-6(12)10-9-4/h3H,1-2H3,(H,7,9)(H2,8,10,11,12)
InChIKeyARUWHOSIQAIAPD-UHFFFAOYSA-N
XLogP-0.72
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(propan-2-ylamino)-2H-1,2,4-triazine-3,5-dione (CID 43411303) is 6-(propan-2-ylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(propan-2-ylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(propan-2-ylamino)-2H-1,2,4-triazine-3,5-dione is CC(C)Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(propan-2-ylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is ARUWHOSIQAIAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-3(2)7-4-5(11)8-6(12)10-9-4/h3H,1-2H3,(H,7,9)(H2,8,10,11,12).
What are the key properties of 6-(propan-2-ylamino)-2H-1,2,4-triazine-3,5-dione?
6-(propan-2-ylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 170.17 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43411303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).