2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one

C19H25N5O — CID 126864046

IUPAC2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(Cc3cnc(C4CC4)nc3)CC2)n1
InChIInChI=1S/C19H25N5O/c1-14-2-5-18(25)24(22-14)13-15-6-8-23(9-7-15)12-16-10-20-19(21-11-16)17-3-4-17/h2,5,10-11,15,17H,3-4,6-9,12-13H2,1H3
InChIKeyKKGLGDOSMBGDJL-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.13
Rot. Bonds5

About 2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one

2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 126864046) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
PubChem CID126864046
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(Cc3cnc(C4CC4)nc3)CC2)n1
InChIInChI=1S/C19H25N5O/c1-14-2-5-18(25)24(22-14)13-15-6-8-23(9-7-15)12-16-10-20-19(21-11-16)17-3-4-17/h2,5,10-11,15,17H,3-4,6-9,12-13H2,1H3
InChIKeyKKGLGDOSMBGDJL-UHFFFAOYSA-N
XLogP2.13
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one (CID 126864046) is 2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC2CCN(Cc3cnc(C4CC4)nc3)CC2)n1.
What is the InChIKey of 2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is KKGLGDOSMBGDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-2-5-18(25)24(22-14)13-15-6-8-23(9-7-15)12-16-10-20-19(21-11-16)17-3-4-17/h2,5,10-11,15,17H,3-4,6-9,12-13H2,1H3.
What are the key properties of 2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 339.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126864046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).