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

C18H22N8O — CID 126921830

IUPAC1-[2-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]pyrazin-2-one
SMILESCN(CCn1ccncc1=O)C1CN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C18H22N8O/c1-23(8-9-24-7-6-19-10-17(24)27)14-11-25(12-14)16-5-4-15-20-21-18(13-2-3-13)26(15)22-16/h4-7,10,13-14H,2-3,8-9,11-12H2,1H3
InChIKeyFKRVNHMQIAXXPM-UHFFFAOYSA-N
MW366.43 g/mol
LogP0.38
Rot. Bonds6

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

1-[2-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]pyrazin-2-one (PubChem CID 126921830) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[2-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]pyrazin-2-one.

Molecular Properties

Compound Name1-[2-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]pyrazin-2-one
PubChem CID126921830
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name1-[2-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]pyrazin-2-one
SMILESCN(CCn1ccncc1=O)C1CN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C18H22N8O/c1-23(8-9-24-7-6-19-10-17(24)27)14-11-25(12-14)16-5-4-15-20-21-18(13-2-3-13)26(15)22-16/h4-7,10,13-14H,2-3,8-9,11-12H2,1H3
InChIKeyFKRVNHMQIAXXPM-UHFFFAOYSA-N
XLogP0.38
TPSA84.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-[2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]-6-methylpyrimidin-4-one
CID 126922244
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
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-(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
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
1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one
CID 126917477
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
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylethanesulfonamide
CID 134161090
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
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethylpyrazin-2-amine
CID 126921801

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]pyrazin-2-one?
The IUPAC name of 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) is 1-[2-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]pyrazin-2-one.
What is the SMILES notation for 1-[2-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]pyrazin-2-one?
The canonical SMILES for 1-[2-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]pyrazin-2-one is CN(CCn1ccncc1=O)C1CN(c2ccc3nnc(C4CC4)n3n2)C1.
What is the InChIKey of 1-[2-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]pyrazin-2-one?
The InChIKey is FKRVNHMQIAXXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-23(8-9-24-7-6-19-10-17(24)27)14-11-25(12-14)16-5-4-15-20-21-18(13-2-3-13)26(15)22-16/h4-7,10,13-14H,2-3,8-9,11-12H2,1H3.
What are the key properties of 1-[2-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]pyrazin-2-one?
1-[2-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]pyrazin-2-one has a molecular weight of 366.43 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]pyrazin-2-one is sourced from PubChem (CID 126921830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).