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

C8H13N3O2 — CID 67989894

IUPAC4,6-dimethyl-2-propan-2-yl-1,2,4-triazine-3,5-dione
SMILESCc1nn(C(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C8H13N3O2/c1-5(2)11-8(13)10(4)7(12)6(3)9-11/h5H,1-4H3
InChIKeyTZDFWXCNUPYWGG-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.17
Rot. Bonds1

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

4,6-dimethyl-2-propan-2-yl-1,2,4-triazine-3,5-dione (PubChem CID 67989894) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4,6-dimethyl-2-propan-2-yl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4,6-dimethyl-2-propan-2-yl-1,2,4-triazine-3,5-dione
PubChem CID67989894
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4,6-dimethyl-2-propan-2-yl-1,2,4-triazine-3,5-dione
SMILESCc1nn(C(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C8H13N3O2/c1-5(2)11-8(13)10(4)7(12)6(3)9-11/h5H,1-4H3
InChIKeyTZDFWXCNUPYWGG-UHFFFAOYSA-N
XLogP-0.17
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-propan-2-yl-1,2,4-triazine-3,5-dione?
The IUPAC name of 4,6-dimethyl-2-propan-2-yl-1,2,4-triazine-3,5-dione (CID 67989894) is 4,6-dimethyl-2-propan-2-yl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4,6-dimethyl-2-propan-2-yl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4,6-dimethyl-2-propan-2-yl-1,2,4-triazine-3,5-dione is Cc1nn(C(C)C)c(=O)n(C)c1=O.
What is the InChIKey of 4,6-dimethyl-2-propan-2-yl-1,2,4-triazine-3,5-dione?
The InChIKey is TZDFWXCNUPYWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(2)11-8(13)10(4)7(12)6(3)9-11/h5H,1-4H3.
What are the key properties of 4,6-dimethyl-2-propan-2-yl-1,2,4-triazine-3,5-dione?
4,6-dimethyl-2-propan-2-yl-1,2,4-triazine-3,5-dione has a molecular weight of 183.21 g/mol, XLogP of -0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-propan-2-yl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 67989894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).