5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

C15H16F3N5O2 — CID 165128876

IUPAC5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H16F3N5O2/c1-8-12(23-4-2-9(3-5-23)15(16,17)18)6-11(22-21-8)10-7-19-14(25)20-13(10)24/h6-7,9H,2-5H2,1H3,(H2,19,20,24,25)
InChIKeyHPRKBNHCNGDMJM-UHFFFAOYSA-N
MW355.32 g/mol
LogP1.61
Rot. Bonds2

About 5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 165128876) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID165128876
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H16F3N5O2/c1-8-12(23-4-2-9(3-5-23)15(16,17)18)6-11(22-21-8)10-7-19-14(25)20-13(10)24/h6-7,9H,2-5H2,1H3,(H2,19,20,24,25)
InChIKeyHPRKBNHCNGDMJM-UHFFFAOYSA-N
XLogP1.61
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 165128876) is 5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is HPRKBNHCNGDMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c1-8-12(23-4-2-9(3-5-23)15(16,17)18)6-11(22-21-8)10-7-19-14(25)20-13(10)24/h6-7,9H,2-5H2,1H3,(H2,19,20,24,25).
What are the key properties of 5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 355.32 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 165128876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).