3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H13FN6O — CID 75471190

IUPAC3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1cnc(CNc2ccc3nnc(-c4ccccc4F)n3n2)o1
InChIInChI=1S/C16H13FN6O/c1-10-8-19-15(24-10)9-18-13-6-7-14-20-21-16(23(14)22-13)11-4-2-3-5-12(11)17/h2-8H,9H2,1H3,(H,18,22)
InChIKeyXQIPEJMOUXRVKY-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.84
Rot. Bonds4

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

3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 75471190) has the molecular formula C16H13FN6O and a molecular weight of 324.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID75471190
Molecular FormulaC16H13FN6O
Molecular Weight324.32 g/mol
Exact Mass324.11
IUPAC Name3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1cnc(CNc2ccc3nnc(-c4ccccc4F)n3n2)o1
InChIInChI=1S/C16H13FN6O/c1-10-8-19-15(24-10)9-18-13-6-7-14-20-21-16(23(14)22-13)11-4-2-3-5-12(11)17/h2-8H,9H2,1H3,(H,18,22)
InChIKeyXQIPEJMOUXRVKY-UHFFFAOYSA-N
XLogP2.84
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-N7-methyl-2-(oxazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 44571767
1-(1,3-Oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 150842946
US11786528, Example 26
CID 146268710
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 166190758
5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole
CID 95899492
1-[4-(1-Methyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-phenyl]-3-oxazol-5-ylmethyl-urea
CID 135222870
2-ethyl-5-[[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-oxazole
CID 136562897
(5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 164630961
2-[2-[(2-Fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
CID 69280963
2-[1-[(2-Fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
CID 69281004
2-[2-[(2-Fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
CID 69281005
2-[1-[(2-Fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
CID 69281006

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 75471190) is 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1cnc(CNc2ccc3nnc(-c4ccccc4F)n3n2)o1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is XQIPEJMOUXRVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O/c1-10-8-19-15(24-10)9-18-13-6-7-14-20-21-16(23(14)22-13)11-4-2-3-5-12(11)17/h2-8H,9H2,1H3,(H,18,22).
What are the key properties of 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 324.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 75471190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).