1-(1-methylpyrazol-3-yl)-1,3-diazinane-2,4-dione

C8H10N4O2 — CID 79777310

IUPAC1-(1-methylpyrazol-3-yl)-1,3-diazinane-2,4-dione
SMILESCn1ccc(N2CCC(=O)NC2=O)n1
InChIInChI=1S/C8H10N4O2/c1-11-4-2-6(10-11)12-5-3-7(13)9-8(12)14/h2,4H,3,5H2,1H3,(H,9,13,14)
InChIKeyBZJKIYDZNFFWNK-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.13
Rot. Bonds1

About 1-(1-methylpyrazol-3-yl)-1,3-diazinane-2,4-dione

1-(1-methylpyrazol-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 79777310) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-1,3-diazinane-2,4-dione
PubChem CID79777310
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name1-(1-methylpyrazol-3-yl)-1,3-diazinane-2,4-dione
SMILESCn1ccc(N2CCC(=O)NC2=O)n1
InChIInChI=1S/C8H10N4O2/c1-11-4-2-6(10-11)12-5-3-7(13)9-8(12)14/h2,4H,3,5H2,1H3,(H,9,13,14)
InChIKeyBZJKIYDZNFFWNK-UHFFFAOYSA-N
XLogP-0.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-1,3-diazinane-2,4-dione (CID 79777310) is 1-(1-methylpyrazol-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-1,3-diazinane-2,4-dione is Cn1ccc(N2CCC(=O)NC2=O)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is BZJKIYDZNFFWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-11-4-2-6(10-11)12-5-3-7(13)9-8(12)14/h2,4H,3,5H2,1H3,(H,9,13,14).
What are the key properties of 1-(1-methylpyrazol-3-yl)-1,3-diazinane-2,4-dione?
1-(1-methylpyrazol-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 194.19 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).