6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one

C17H23N5O — CID 126864051

IUPAC6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(Cc3ccnc(C)n3)CC2)n1
InChIInChI=1S/C17H23N5O/c1-13-3-4-17(23)22(20-13)11-15-6-9-21(10-7-15)12-16-5-8-18-14(2)19-16/h3-5,8,15H,6-7,9-12H2,1-2H3
InChIKeyNQHUVXPYYCEPNY-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.56
Rot. Bonds4

About 6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one

6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126864051) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126864051
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(Cc3ccnc(C)n3)CC2)n1
InChIInChI=1S/C17H23N5O/c1-13-3-4-17(23)22(20-13)11-15-6-9-21(10-7-15)12-16-5-8-18-14(2)19-16/h3-5,8,15H,6-7,9-12H2,1-2H3
InChIKeyNQHUVXPYYCEPNY-UHFFFAOYSA-N
XLogP1.56
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913735
6-methyl-2-[[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864063
2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864046
2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864225
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863941
2-[[1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864090
2-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863952
6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126864091
2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863942
6-methyl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864099
6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864089
4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 126863928

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126864051) is 6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is Cc1ccc(=O)n(CC2CCN(Cc3ccnc(C)n3)CC2)n1.
What is the InChIKey of 6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is NQHUVXPYYCEPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-3-4-17(23)22(20-13)11-15-6-9-21(10-7-15)12-16-5-8-18-14(2)19-16/h3-5,8,15H,6-7,9-12H2,1-2H3.
What are the key properties of 6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 313.41 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126864051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).