ethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen

C17H28N4O2 — CID 153338377

IUPACethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen
SMILESCC.CCCC1CC1c1cc(-c2c[nH]c(=O)[nH]c2=O)nnc1C.[H][H].[H][H]
InChIInChI=1S/C15H18N4O2.C2H6.2H2/c1-3-4-9-5-11(9)10-6-13(19-18-8(10)2)12-7-16-15(21)17-14(12)20;1-2;;/h6-7,9,11H,3-5H2,1-2H3,(H2,16,17,20,21);1-2H3;2*1H
InChIKeyWJKBZCCVCNQBOA-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.25
Rot. Bonds4

About ethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen

ethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen (PubChem CID 153338377) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is ethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen.

Molecular Properties

Compound Nameethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen
PubChem CID153338377
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nameethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen
SMILESCC.CCCC1CC1c1cc(-c2c[nH]c(=O)[nH]c2=O)nnc1C.[H][H].[H][H]
InChIInChI=1S/C15H18N4O2.C2H6.2H2/c1-3-4-9-5-11(9)10-6-13(19-18-8(10)2)12-7-16-15(21)17-14(12)20;1-2;;/h6-7,9,11H,3-5H2,1-2H3,(H2,16,17,20,21);1-2H3;2*1H
InChIKeyWJKBZCCVCNQBOA-UHFFFAOYSA-N
XLogP3.25
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen?
The IUPAC name of ethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen (CID 153338377) is ethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen.
What is the SMILES notation for ethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen?
The canonical SMILES for ethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen is CC.CCCC1CC1c1cc(-c2c[nH]c(=O)[nH]c2=O)nnc1C.[H][H].[H][H].
What is the InChIKey of ethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen?
The InChIKey is WJKBZCCVCNQBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.C2H6.2H2/c1-3-4-9-5-11(9)10-6-13(19-18-8(10)2)12-7-16-15(21)17-14(12)20;1-2;;/h6-7,9,11H,3-5H2,1-2H3,(H2,16,17,20,21);1-2H3;2*1H.
What are the key properties of ethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen?
ethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen has a molecular weight of 320.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen is sourced from PubChem (CID 153338377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).