6-(butan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

C9H16N4O2 — CID 43410448

IUPAC6-(butan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC(C)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H16N4O2/c1-5-6(2)10-7-8(14)12(3)9(15)13(4)11-7/h6H,5H2,1-4H3,(H,10,11)
InChIKeyBWMQYDROTMVTOM-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.31
Rot. Bonds3

About 6-(butan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-(butan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 43410448) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(butan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID43410448
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name6-(butan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC(C)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H16N4O2/c1-5-6(2)10-7-8(14)12(3)9(15)13(4)11-7/h6H,5H2,1-4H3,(H,10,11)
InChIKeyBWMQYDROTMVTOM-UHFFFAOYSA-N
XLogP-0.31
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(butan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 43410448) is 6-(butan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(butan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(butan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCC(C)Nc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-(butan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is BWMQYDROTMVTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-5-6(2)10-7-8(14)12(3)9(15)13(4)11-7/h6H,5H2,1-4H3,(H,10,11).
What are the key properties of 6-(butan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(butan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 212.25 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).