3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione

C13H12N6O3 — CID 72863527

IUPAC3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccc(-c2noc(Cc3c[nH]c(=O)n(C)c3=O)n2)nn1
InChIInChI=1S/C13H12N6O3/c1-7-3-4-9(17-16-7)11-15-10(22-18-11)5-8-6-14-13(21)19(2)12(8)20/h3-4,6H,5H2,1-2H3,(H,14,21)
InChIKeyGIZFWELYLBVJQD-UHFFFAOYSA-N
MW300.28 g/mol
LogP-0.19
Rot. Bonds3

About 3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 72863527) has the molecular formula C13H12N6O3 and a molecular weight of 300.28 g/mol. Its IUPAC name is 3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID72863527
Molecular FormulaC13H12N6O3
Molecular Weight300.28 g/mol
Exact Mass300.10
IUPAC Name3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccc(-c2noc(Cc3c[nH]c(=O)n(C)c3=O)n2)nn1
InChIInChI=1S/C13H12N6O3/c1-7-3-4-9(17-16-7)11-15-10(22-18-11)5-8-6-14-13(21)19(2)12(8)20/h3-4,6H,5H2,1-2H3,(H,14,21)
InChIKeyGIZFWELYLBVJQD-UHFFFAOYSA-N
XLogP-0.19
TPSA119.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea
CID 70769894
5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 97121088
5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 70753725
(3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
CID 97119830
1-(azepan-1-yl)-3-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 70707902
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 72908986
5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 97272204
2-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80741141
3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 70732333
5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 127028684
[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63840632
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63839886

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione (CID 72863527) is 3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione is Cc1ccc(-c2noc(Cc3c[nH]c(=O)n(C)c3=O)n2)nn1.
What is the InChIKey of 3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is GIZFWELYLBVJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O3/c1-7-3-4-9(17-16-7)11-15-10(22-18-11)5-8-6-14-13(21)19(2)12(8)20/h3-4,6H,5H2,1-2H3,(H,14,21).
What are the key properties of 3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 300.28 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72863527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).