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

C7H11N3O2 — CID 129214213

IUPAC6-methyl-2-propan-2-yl-1,2,4-triazine-3,5-dione
SMILESCc1nn(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-4(2)10-7(12)8-6(11)5(3)9-10/h4H,1-3H3,(H,8,11,12)
InChIKeyIKBUROROXIAXDC-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.18
Rot. Bonds1

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

6-methyl-2-propan-2-yl-1,2,4-triazine-3,5-dione (PubChem CID 129214213) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-1,2,4-triazine-3,5-dione
PubChem CID129214213
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name6-methyl-2-propan-2-yl-1,2,4-triazine-3,5-dione
SMILESCc1nn(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-4(2)10-7(12)8-6(11)5(3)9-10/h4H,1-3H3,(H,8,11,12)
InChIKeyIKBUROROXIAXDC-UHFFFAOYSA-N
XLogP-0.18
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-methyl-2-propan-2-yl-1,2,4-triazine-3,5-dione (CID 129214213) is 6-methyl-2-propan-2-yl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-methyl-2-propan-2-yl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-methyl-2-propan-2-yl-1,2,4-triazine-3,5-dione is Cc1nn(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-methyl-2-propan-2-yl-1,2,4-triazine-3,5-dione?
The InChIKey is IKBUROROXIAXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4(2)10-7(12)8-6(11)5(3)9-10/h4H,1-3H3,(H,8,11,12).
What are the key properties of 6-methyl-2-propan-2-yl-1,2,4-triazine-3,5-dione?
6-methyl-2-propan-2-yl-1,2,4-triazine-3,5-dione has a molecular weight of 169.18 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 129214213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).