1-[(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazol-3-yl]-1,3-diazinane-2,4-dione

C12H14N4O2 — CID 177044269

IUPAC1-[(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazol-3-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C=c1\c(=C)c(N2CCC(=O)NC2=O)nn1C
InChIInChI=1S/C12H14N4O2/c1-4-5-9-8(2)11(14-15(9)3)16-7-6-10(17)13-12(16)18/h4-5H,1-2,6-7H2,3H3,(H,13,17,18)/b9-5+
InChIKeyGDSVPURXQODUAS-WEVVVXLNSA-N
MW246.27 g/mol
LogP-0.76
Rot. Bonds2

About 1-[(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazol-3-yl]-1,3-diazinane-2,4-dione

1-[(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 177044269) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID177044269
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-[(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazol-3-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C=c1\c(=C)c(N2CCC(=O)NC2=O)nn1C
InChIInChI=1S/C12H14N4O2/c1-4-5-9-8(2)11(14-15(9)3)16-7-6-10(17)13-12(16)18/h4-5H,1-2,6-7H2,3H3,(H,13,17,18)/b9-5+
InChIKeyGDSVPURXQODUAS-WEVVVXLNSA-N
XLogP-0.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 177011148
1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione
CID 178164160
1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 178164135
1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]piperidine-4-carbaldehyde
CID 172630164
1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride
CID 164898721
1-(7-tert-butyl-1,7-dimethylcyclohepta[c]pyrazol-3-yl)-1,3-diazinane-2,4-dione
CID 167091108
1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166468113
1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 162725457
1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 176736496
1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166117692
benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate
CID 171565750
1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171821068

Frequently Asked Questions

What is the IUPAC name of 1-[(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazol-3-yl]-1,3-diazinane-2,4-dione (CID 177044269) is 1-[(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazol-3-yl]-1,3-diazinane-2,4-dione is C=C/C=c1\c(=C)c(N2CCC(=O)NC2=O)nn1C.
What is the InChIKey of 1-[(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is GDSVPURXQODUAS-WEVVVXLNSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-4-5-9-8(2)11(14-15(9)3)16-7-6-10(17)13-12(16)18/h4-5H,1-2,6-7H2,3H3,(H,13,17,18)/b9-5+.
What are the key properties of 1-[(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazol-3-yl]-1,3-diazinane-2,4-dione?
1-[(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177044269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).