5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine

C13H13FN8 — CID 126920737

IUPAC5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine
SMILESCN(c1ncncc1F)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C13H13FN8/c1-20(13-10(14)4-15-7-16-13)9-5-21(6-9)12-3-2-11-18-17-8-22(11)19-12/h2-4,7-9H,5-6H2,1H3
InChIKeyMIRNLKZYECNVRL-UHFFFAOYSA-N
MW300.30 g/mol
LogP0.38
Rot. Bonds3

About 5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine

5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine (PubChem CID 126920737) has the molecular formula C13H13FN8 and a molecular weight of 300.30 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine
PubChem CID126920737
Molecular FormulaC13H13FN8
Molecular Weight300.30 g/mol
Exact Mass300.12
IUPAC Name5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine
SMILESCN(c1ncncc1F)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C13H13FN8/c1-20(13-10(14)4-15-7-16-13)9-5-21(6-9)12-3-2-11-18-17-8-22(11)19-12/h2-4,7-9H,5-6H2,1H3
InChIKeyMIRNLKZYECNVRL-UHFFFAOYSA-N
XLogP0.38
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-fluoro-N-methylpyrimidin-4-amine
CID 126923012
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-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 126920728
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 126920482
N,6-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazin-3-amine
CID 126920500
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanesulfonamide
CID 126920465
N-methyl-N-[(6-methylpyrazin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920593
5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine
CID 126920730
N-methyl-N-[(3-methyltriazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920624
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide
CID 126920477
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126918141
N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920616

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine (CID 126920737) is 5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine is CN(c1ncncc1F)C1CN(c2ccc3nncn3n2)C1.
What is the InChIKey of 5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine?
The InChIKey is MIRNLKZYECNVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN8/c1-20(13-10(14)4-15-7-16-13)9-5-21(6-9)12-3-2-11-18-17-8-22(11)19-12/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine?
5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine has a molecular weight of 300.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126920737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).