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

C14H10ClF2N5O2 — CID 139532918

IUPAC3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnn2ncccc12)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H10ClF2N5O2/c15-9-6-8(3-4-12(9)24-14(16)17)13(23)18-7-10-11-2-1-5-19-22(11)21-20-10/h1-6,14H,7H2,(H,18,23)
InChIKeyQGYNJJWZIRVLNR-UHFFFAOYSA-N
MW353.72 g/mol
LogP2.31
Rot. Bonds5

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

3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide (PubChem CID 139532918) has the molecular formula C14H10ClF2N5O2 and a molecular weight of 353.72 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
PubChem CID139532918
Molecular FormulaC14H10ClF2N5O2
Molecular Weight353.72 g/mol
Exact Mass353.05
IUPAC Name3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnn2ncccc12)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H10ClF2N5O2/c15-9-6-8(3-4-12(9)24-14(16)17)13(23)18-7-10-11-2-1-5-19-22(11)21-20-10/h1-6,14H,7H2,(H,18,23)
InChIKeyQGYNJJWZIRVLNR-UHFFFAOYSA-N
XLogP2.31
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.72
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide
CID 134278998
3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide
CID 137453603
4-(difluoromethoxy)-3-fluoro-N-[(4-methylpyrazolo[1,5-b]pyridazin-3-yl)methyl]benzamide
CID 139532914
N-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 139532915
N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 139532917
3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 139532920
3-fluoro-N-[(5-methylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 139532930
4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide
CID 139532931
4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
CID 139532932
4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 139532936
3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 139532937
3-fluoro-N-[(4-methylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 139532944

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide (CID 139532918) is 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide is O=C(NCc1nnn2ncccc12)c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide?
The InChIKey is QGYNJJWZIRVLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N5O2/c15-9-6-8(3-4-12(9)24-14(16)17)13(23)18-7-10-11-2-1-5-19-22(11)21-20-10/h1-6,14H,7H2,(H,18,23).
What are the key properties of 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide?
3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide has a molecular weight of 353.72 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide is sourced from PubChem (CID 139532918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).