1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine

C19H20F2N6 — CID 126921774

IUPAC1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1cc(F)ccc1F)C1CN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C19H20F2N6/c1-25(9-13-8-14(20)4-5-16(13)21)15-10-26(11-15)18-7-6-17-22-23-19(12-2-3-12)27(17)24-18/h4-8,12,15H,2-3,9-11H2,1H3
InChIKeyDWEONYKZARTWRQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.60
Rot. Bonds5

About 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine

1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine (PubChem CID 126921774) has the molecular formula C19H20F2N6 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound Name1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine
PubChem CID126921774
Molecular FormulaC19H20F2N6
Molecular Weight370.41 g/mol
Exact Mass370.17
IUPAC Name1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1cc(F)ccc1F)C1CN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C19H20F2N6/c1-25(9-13-8-14(20)4-5-16(13)21)15-10-26(11-15)18-7-6-17-22-23-19(12-2-3-12)27(17)24-18/h4-8,12,15H,2-3,9-11H2,1H3
InChIKeyDWEONYKZARTWRQ-UHFFFAOYSA-N
XLogP2.60
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
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-(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
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
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-fluoro-N-methylbenzenesulfonamide
CID 134161730
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
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-(oxolan-2-ylmethyl)azetidin-3-amine
CID 126922324
3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133294652
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-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-fluoro-N-methylpyrimidin-4-amine
CID 126922338
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylpyrimidin-2-amine
CID 126922171

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine?
The IUPAC name of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine (CID 126921774) is 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine?
The canonical SMILES for 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine is CN(Cc1cc(F)ccc1F)C1CN(c2ccc3nnc(C4CC4)n3n2)C1.
What is the InChIKey of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine?
The InChIKey is DWEONYKZARTWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6/c1-25(9-13-8-14(20)4-5-16(13)21)15-10-26(11-15)18-7-6-17-22-23-19(12-2-3-12)27(17)24-18/h4-8,12,15H,2-3,9-11H2,1H3.
What are the key properties of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine?
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine has a molecular weight of 370.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 126921774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).