6-[1-(2-methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione

C12H18N4O3 — CID 122538050

IUPAC6-[1-(2-methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione
SMILESCOCCn1cc(C2(C)CC(=O)NC(=O)N2C)cn1
InChIInChI=1S/C12H18N4O3/c1-12(6-10(17)14-11(18)15(12)2)9-7-13-16(8-9)4-5-19-3/h7-8H,4-6H2,1-3H3,(H,14,17,18)
InChIKeyXIHOTPNVSFEMPC-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.32
Rot. Bonds4

About 6-[1-(2-methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione

6-[1-(2-methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 122538050) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-[1-(2-methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-[1-(2-methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione
PubChem CID122538050
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name6-[1-(2-methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione
SMILESCOCCn1cc(C2(C)CC(=O)NC(=O)N2C)cn1
InChIInChI=1S/C12H18N4O3/c1-12(6-10(17)14-11(18)15(12)2)9-7-13-16(8-9)4-5-19-3/h7-8H,4-6H2,1-3H3,(H,14,17,18)
InChIKeyXIHOTPNVSFEMPC-UHFFFAOYSA-N
XLogP0.32
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-[1-(2-methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione (CID 122538050) is 6-[1-(2-methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-[1-(2-methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-[1-(2-methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione is COCCn1cc(C2(C)CC(=O)NC(=O)N2C)cn1.
What is the InChIKey of 6-[1-(2-methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is XIHOTPNVSFEMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(6-10(17)14-11(18)15(12)2)9-7-13-16(8-9)4-5-19-3/h7-8H,4-6H2,1-3H3,(H,14,17,18).
What are the key properties of 6-[1-(2-methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione?
6-[1-(2-methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 122538050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).