1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione

C10H12N4O3 — CID 112597986

IUPAC1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)n1cc(N2C(=O)CC(=O)NC2=O)cn1
InChIInChI=1S/C10H12N4O3/c1-6(2)13-5-7(4-11-13)14-9(16)3-8(15)12-10(14)17/h4-6H,3H2,1-2H3,(H,12,15,17)
InChIKeyDDVSJXZITIVAMC-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.44
Rot. Bonds2

About 1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione

1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 112597986) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione
PubChem CID112597986
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)n1cc(N2C(=O)CC(=O)NC2=O)cn1
InChIInChI=1S/C10H12N4O3/c1-6(2)13-5-7(4-11-13)14-9(16)3-8(15)12-10(14)17/h4-6H,3H2,1-2H3,(H,12,15,17)
InChIKeyDDVSJXZITIVAMC-UHFFFAOYSA-N
XLogP0.44
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione (CID 112597986) is 1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione is CC(C)n1cc(N2C(=O)CC(=O)NC2=O)cn1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is DDVSJXZITIVAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-6(2)13-5-7(4-11-13)14-9(16)3-8(15)12-10(14)17/h4-6H,3H2,1-2H3,(H,12,15,17).
What are the key properties of 1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione?
1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 236.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112597986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).