6-[(2-hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C9H16N4O3 — CID 63777203

IUPAC6-[(2-hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(C)(C)O)c(=O)n(C)c1=O
InChIInChI=1S/C9H16N4O3/c1-9(2,16)5-10-6-7(14)12(3)8(15)13(4)11-6/h16H,5H2,1-4H3,(H,10,11)
InChIKeyMQCKIMDCVSJSFM-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.34
Rot. Bonds3

About 6-[(2-hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[(2-hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 63777203) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-[(2-hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID63777203
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name6-[(2-hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(C)(C)O)c(=O)n(C)c1=O
InChIInChI=1S/C9H16N4O3/c1-9(2,16)5-10-6-7(14)12(3)8(15)13(4)11-6/h16H,5H2,1-4H3,(H,10,11)
InChIKeyMQCKIMDCVSJSFM-UHFFFAOYSA-N
XLogP-1.34
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 63777203) is 6-[(2-hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC(C)(C)O)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(2-hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is MQCKIMDCVSJSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-9(2,16)5-10-6-7(14)12(3)8(15)13(4)11-6/h16H,5H2,1-4H3,(H,10,11).
What are the key properties of 6-[(2-hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(2-hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 228.25 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63777203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).