6-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione

C11H16N4O2 — CID 122538069

IUPAC6-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione
SMILESCCC1(c2cnn(C)c2)CC(=O)NC(=O)N1C
InChIInChI=1S/C11H16N4O2/c1-4-11(8-6-12-14(2)7-8)5-9(16)13-10(17)15(11)3/h6-7H,4-5H2,1-3H3,(H,13,16,17)
InChIKeyBJQLFUZXYZSKSU-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.60
Rot. Bonds2

About 6-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione

6-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione (PubChem CID 122538069) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione
PubChem CID122538069
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name6-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione
SMILESCCC1(c2cnn(C)c2)CC(=O)NC(=O)N1C
InChIInChI=1S/C11H16N4O2/c1-4-11(8-6-12-14(2)7-8)5-9(16)13-10(17)15(11)3/h6-7H,4-5H2,1-3H3,(H,13,16,17)
InChIKeyBJQLFUZXYZSKSU-UHFFFAOYSA-N
XLogP0.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N~1~,N~1~,N~3~-trimethyl-N~3~-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-1,3-piperidinedicarboxamide
CID 72887361
1-isopropyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72915942
1-isopropyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72919300
N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 118739348
N,N,1-trimethyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 118741028
5-ethyl-5-(1-methyl-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 71757084
5-Methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione
CID 71871843
3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 71899632
5-[1-[2-(1-Methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 75526383
2-amino-6-{4-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]piperazin-1-yl}pyrimidin-4(3H)-one
CID 136930428
1-[[1-(2-Fluoroethyl)pyrazol-4-yl]methyl]-3-[(4-methyl-2-oxopiperidin-3-yl)methyl]urea
CID 154870834
1-[3-(1-Methylpyrazol-4-yl)propyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]urea
CID 155951431

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 6-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione (CID 122538069) is 6-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione is CCC1(c2cnn(C)c2)CC(=O)NC(=O)N1C.
What is the InChIKey of 6-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione?
The InChIKey is BJQLFUZXYZSKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-4-11(8-6-12-14(2)7-8)5-9(16)13-10(17)15(11)3/h6-7H,4-5H2,1-3H3,(H,13,16,17).
What are the key properties of 6-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione?
6-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione has a molecular weight of 236.27 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 122538069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).