1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione

C9H14N4O2 — CID 171565065

IUPAC1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione
SMILESCN1C=C(N2CCC(=O)NC2=O)CN1C
InChIInChI=1S/C9H14N4O2/c1-11-5-7(6-12(11)2)13-4-3-8(14)10-9(13)15/h5H,3-4,6H2,1-2H3,(H,10,14,15)
InChIKeyGXYBGUMIHHEFFK-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.44
Rot. Bonds1

About 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione

1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione (PubChem CID 171565065) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione
PubChem CID171565065
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione
SMILESCN1C=C(N2CCC(=O)NC2=O)CN1C
InChIInChI=1S/C9H14N4O2/c1-11-5-7(6-12(11)2)13-4-3-8(14)10-9(13)15/h5H,3-4,6H2,1-2H3,(H,10,14,15)
InChIKeyGXYBGUMIHHEFFK-UHFFFAOYSA-N
XLogP-0.44
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione (CID 171565065) is 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione is CN1C=C(N2CCC(=O)NC2=O)CN1C.
What is the InChIKey of 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione?
The InChIKey is GXYBGUMIHHEFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-11-5-7(6-12(11)2)13-4-3-8(14)10-9(13)15/h5H,3-4,6H2,1-2H3,(H,10,14,15).
What are the key properties of 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione?
1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione has a molecular weight of 210.24 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171565065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).