N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C14H13FN6 — CID 134811095

IUPACN-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccc(-c2nnc3ccc(NC4CCC4)nn23)nc1
InChIInChI=1S/C14H13FN6/c15-9-4-5-11(16-8-9)14-19-18-13-7-6-12(20-21(13)14)17-10-2-1-3-10/h4-8,10H,1-3H2,(H,17,20)
InChIKeyKBVGIZFXDHQCLQ-UHFFFAOYSA-N
MW284.30 g/mol
LogP2.29
Rot. Bonds3

About N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 134811095) has the molecular formula C14H13FN6 and a molecular weight of 284.30 g/mol. Its IUPAC name is N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID134811095
Molecular FormulaC14H13FN6
Molecular Weight284.30 g/mol
Exact Mass284.12
IUPAC NameN-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccc(-c2nnc3ccc(NC4CCC4)nn23)nc1
InChIInChI=1S/C14H13FN6/c15-9-4-5-11(16-8-9)14-19-18-13-7-6-12(20-21(13)14)17-10-2-1-3-10/h4-8,10H,1-3H2,(H,17,20)
InChIKeyKBVGIZFXDHQCLQ-UHFFFAOYSA-N
XLogP2.29
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

N-cyclobutyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10359460
N-cyclopropyl-5-fluoropyridin-2-amine
CID 61313330
3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133333824
N-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine
CID 171432210
N-cyclopropyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 29131460
6-[4-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286721
3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489106
5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 58254860
4-N-(5-fluoro-2-pyridinyl)cyclohexane-1,4-diamine
CID 62312959
3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95244110
N-(2-cyclopropyloxan-4-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 127878745
5-fluoro-N-(2-fluorocyclopentyl)pyridin-2-amine
CID 126856427

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 134811095) is N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Fc1ccc(-c2nnc3ccc(NC4CCC4)nn23)nc1.
What is the InChIKey of N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is KBVGIZFXDHQCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6/c15-9-4-5-11(16-8-9)14-19-18-13-7-6-12(20-21(13)14)17-10-2-1-3-10/h4-8,10H,1-3H2,(H,17,20).
What are the key properties of N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 284.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 134811095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).