N-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide

C20H12F3N5O3 — CID 59135428

IUPACN-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1nnc2cc(Oc3ccncc3)ccc2n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H12F3N5O3/c21-20(22,23)31-14-3-1-12(2-4-14)18(29)26-19-25-16-6-5-15(11-17(16)27-28-19)30-13-7-9-24-10-8-13/h1-11H,(H,25,26,28,29)
InChIKeyAZDUKTNUTISXOZ-UHFFFAOYSA-N
MW427.34 g/mol
LogP4.36
Rot. Bonds5

About N-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide

N-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 59135428) has the molecular formula C20H12F3N5O3 and a molecular weight of 427.34 g/mol. Its IUPAC name is N-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide
PubChem CID59135428
Molecular FormulaC20H12F3N5O3
Molecular Weight427.34 g/mol
Exact Mass427.09
IUPAC NameN-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1nnc2cc(Oc3ccncc3)ccc2n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H12F3N5O3/c21-20(22,23)31-14-3-1-12(2-4-14)18(29)26-19-25-16-6-5-15(11-17(16)27-28-19)30-13-7-9-24-10-8-13/h1-11H,(H,25,26,28,29)
InChIKeyAZDUKTNUTISXOZ-UHFFFAOYSA-N
XLogP4.36
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[3-[[4-(trifluoromethoxy)benzoyl]amino]-1,2,4-benzotriazin-7-yl]oxy]pyridine-3-carboxylic acid
CID 140502372
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
CID 58624211
N-methyl-4-[[3-[[3-(trifluoromethyl)benzoyl]amino]-1,2,4-benzotriazin-7-yl]oxy]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 86604284
N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
CID 59135412
N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 2090733
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 2728304
pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 68682751
3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride
CID 67278377
methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 4963798

Frequently Asked Questions

What is the IUPAC name of N-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide (CID 59135428) is N-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide is O=C(Nc1nnc2cc(Oc3ccncc3)ccc2n1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is AZDUKTNUTISXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N5O3/c21-20(22,23)31-14-3-1-12(2-4-14)18(29)26-19-25-16-6-5-15(11-17(16)27-28-19)30-13-7-9-24-10-8-13/h1-11H,(H,25,26,28,29).
What are the key properties of N-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide?
N-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 427.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 59135428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).