5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one

C17H21N7O — CID 175650785

IUPAC5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one
SMILESCc1cc(N(C)C2CN(c3cnn(C)c(=O)c3)C2)n2nc(C)cc2n1
InChIInChI=1S/C17H21N7O/c1-11-6-16(24-15(19-11)5-12(2)20-24)21(3)14-9-23(10-14)13-7-17(25)22(4)18-8-13/h5-8,14H,9-10H2,1-4H3
InChIKeyHKTBYFIXKFFIHO-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.76
Rot. Bonds3

About 5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one

5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one (PubChem CID 175650785) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one
PubChem CID175650785
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one
SMILESCc1cc(N(C)C2CN(c3cnn(C)c(=O)c3)C2)n2nc(C)cc2n1
InChIInChI=1S/C17H21N7O/c1-11-6-16(24-15(19-11)5-12(2)20-24)21(3)14-9-23(10-14)13-7-17(25)22(4)18-8-13/h5-8,14H,9-10H2,1-4H3
InChIKeyHKTBYFIXKFFIHO-UHFFFAOYSA-N
XLogP0.76
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one (CID 175650785) is 5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one is Cc1cc(N(C)C2CN(c3cnn(C)c(=O)c3)C2)n2nc(C)cc2n1.
What is the InChIKey of 5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is HKTBYFIXKFFIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11-6-16(24-15(19-11)5-12(2)20-24)21(3)14-9-23(10-14)13-7-17(25)22(4)18-8-13/h5-8,14H,9-10H2,1-4H3.
What are the key properties of 5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one?
5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 339.40 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 175650785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).