N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide

C14H10F3N5O2 — CID 139532917

IUPACN-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NCc1nnn2ncccc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3N5O2/c15-14(16,17)24-10-5-3-9(4-6-10)13(23)18-8-11-12-2-1-7-19-22(12)21-20-11/h1-7H,8H2,(H,18,23)
InChIKeyMUMGOJQSYJBIEE-UHFFFAOYSA-N
MW337.26 g/mol
LogP1.95
Rot. Bonds4

About N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide

N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide (PubChem CID 139532917) has the molecular formula C14H10F3N5O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
PubChem CID139532917
Molecular FormulaC14H10F3N5O2
Molecular Weight337.26 g/mol
Exact Mass337.08
IUPAC NameN-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NCc1nnn2ncccc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3N5O2/c15-14(16,17)24-10-5-3-9(4-6-10)13(23)18-8-11-12-2-1-7-19-22(12)21-20-11/h1-7H,8H2,(H,18,23)
InChIKeyMUMGOJQSYJBIEE-UHFFFAOYSA-N
XLogP1.95
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-3-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884951
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 71790760
N-{[1-cyclopentyl-5-(pyridin-4-yl)-1H-pyrazol-3-yl]methyl}-4-(trifluoromethoxy)benzamide
CID 71797590
N-((1-methyl-5-(pyridin-2-yl)-1H-pyrazol-3-yl)methyl)-4-(trifluoromethoxy)benzamide
CID 71797649
N-{2-[3-(pyridin-4-yl)-1H-pyrazol-1-yl]ethyl}-4-(trifluoromethoxy)benzamide
CID 71807859
N-(2-(3-(pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethyl)-4-(trifluoromethoxy)benzamide
CID 72718490
3-fluoro-4-methoxy-N-(pyrazolo[1,5-a]pyridin-5-yl)benzamide
CID 91629383
Pyrazolo[1,5-a]pyridin-3-yl(4-(4-(trifluoromethoxy)benzoyl)piperazin-1-yl)methanone
CID 71797897
(4-(2H-1,2,3-triazol-2-yl)piperidin-1-yl)(4-(trifluoromethoxy)phenyl)methanone
CID 92092773
N-[(1R)-2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
CID 132299210
N-[1-(benzotriazol-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 25121570
N-[2-cyano-1-(5-methylbenzotriazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 25121918

Frequently Asked Questions

What is the IUPAC name of N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide (CID 139532917) is N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide is O=C(NCc1nnn2ncccc12)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is MUMGOJQSYJBIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2/c15-14(16,17)24-10-5-3-9(4-6-10)13(23)18-8-11-12-2-1-7-19-22(12)21-20-11/h1-7H,8H2,(H,18,23).
What are the key properties of N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide?
N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 337.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 139532917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).