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

C12H9FN6O2 — CID 165128793

IUPAC5-[5-(4-fluoropyrazol-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1-n1cc(F)cn1
InChIInChI=1S/C12H9FN6O2/c1-6-10(19-5-7(13)3-15-19)2-9(18-17-6)8-4-14-12(21)16-11(8)20/h2-5H,1H3,(H2,14,16,20,21)
InChIKeyBGZPEAANPCNVHK-UHFFFAOYSA-N
MW288.24 g/mol
LogP0.15
Rot. Bonds2

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

5-[5-(4-fluoropyrazol-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 165128793) has the molecular formula C12H9FN6O2 and a molecular weight of 288.24 g/mol. Its IUPAC name is 5-[5-(4-fluoropyrazol-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(4-fluoropyrazol-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID165128793
Molecular FormulaC12H9FN6O2
Molecular Weight288.24 g/mol
Exact Mass288.08
IUPAC Name5-[5-(4-fluoropyrazol-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1-n1cc(F)cn1
InChIInChI=1S/C12H9FN6O2/c1-6-10(19-5-7(13)3-15-19)2-9(18-17-6)8-4-14-12(21)16-11(8)20/h2-5H,1H3,(H2,14,16,20,21)
InChIKeyBGZPEAANPCNVHK-UHFFFAOYSA-N
XLogP0.15
TPSA109.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluoropyrazol-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-(4-fluoropyrazol-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 165128793) is 5-[5-(4-fluoropyrazol-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-(4-fluoropyrazol-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-(4-fluoropyrazol-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1-n1cc(F)cn1.
What is the InChIKey of 5-[5-(4-fluoropyrazol-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is BGZPEAANPCNVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN6O2/c1-6-10(19-5-7(13)3-15-19)2-9(18-17-6)8-4-14-12(21)16-11(8)20/h2-5H,1H3,(H2,14,16,20,21).
What are the key properties of 5-[5-(4-fluoropyrazol-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-(4-fluoropyrazol-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 288.24 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluoropyrazol-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 165128793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).