6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one

C18H22N8O — CID 126921823

IUPAC6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one
SMILESCN(Cc1ccnc(=O)n1C)C1CN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C18H22N8O/c1-23(9-13-7-8-19-18(27)24(13)2)14-10-25(11-14)16-6-5-15-20-21-17(12-3-4-12)26(15)22-16/h5-8,12,14H,3-4,9-11H2,1-2H3
InChIKeyHSZAJXPLOBRSQA-UHFFFAOYSA-N
MW366.43 g/mol
LogP0.42
Rot. Bonds5

About 6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one

6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one (PubChem CID 126921823) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one
PubChem CID126921823
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one
SMILESCN(Cc1ccnc(=O)n1C)C1CN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C18H22N8O/c1-23(9-13-7-8-19-18(27)24(13)2)14-10-25(11-14)16-6-5-15-20-21-17(12-3-4-12)26(15)22-16/h5-8,12,14H,3-4,9-11H2,1-2H3
InChIKeyHSZAJXPLOBRSQA-UHFFFAOYSA-N
XLogP0.42
TPSA84.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one with MolForge

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Related Compounds

1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine
CID 126921842
3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one
CID 126922232
6-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one
CID 126918236
6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpiperidin-2-one
CID 126921814
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine
CID 126921858
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-amine
CID 126921848
1-[2-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]pyrazin-2-one
CID 126921830
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine
CID 126921774
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126921798
N-(cyclobutylmethyl)-1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methylazetidin-3-amine
CID 126922316
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylethanesulfonamide
CID 134161090
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-amine
CID 126922271

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one?
The IUPAC name of 6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one (CID 126921823) is 6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one.
What is the SMILES notation for 6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one?
The canonical SMILES for 6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one is CN(Cc1ccnc(=O)n1C)C1CN(c2ccc3nnc(C4CC4)n3n2)C1.
What is the InChIKey of 6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one?
The InChIKey is HSZAJXPLOBRSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-23(9-13-7-8-19-18(27)24(13)2)14-10-25(11-14)16-6-5-15-20-21-17(12-3-4-12)26(15)22-16/h5-8,12,14H,3-4,9-11H2,1-2H3.
What are the key properties of 6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one?
6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one has a molecular weight of 366.43 g/mol, XLogP of 0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one is sourced from PubChem (CID 126921823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).