1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione

C11H14N4O2 — CID 168752423

IUPAC1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione
SMILESCC(C)c1cc(N2CCC(=O)NC2=O)cnn1
InChIInChI=1S/C11H14N4O2/c1-7(2)9-5-8(6-12-14-9)15-4-3-10(16)13-11(15)17/h5-7H,3-4H2,1-2H3,(H,13,16,17)
InChIKeyBBCJMNNKUAPLOW-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.05
Rot. Bonds2

About 1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione

1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione (PubChem CID 168752423) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione
PubChem CID168752423
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione
SMILESCC(C)c1cc(N2CCC(=O)NC2=O)cnn1
InChIInChI=1S/C11H14N4O2/c1-7(2)9-5-8(6-12-14-9)15-4-3-10(16)13-11(15)17/h5-7H,3-4H2,1-2H3,(H,13,16,17)
InChIKeyBBCJMNNKUAPLOW-UHFFFAOYSA-N
XLogP1.05
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione (CID 168752423) is 1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione is CC(C)c1cc(N2CCC(=O)NC2=O)cnn1.
What is the InChIKey of 1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione?
The InChIKey is BBCJMNNKUAPLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7(2)9-5-8(6-12-14-9)15-4-3-10(16)13-11(15)17/h5-7H,3-4H2,1-2H3,(H,13,16,17).
What are the key properties of 1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione?
1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione has a molecular weight of 234.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 168752423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).