N-(4-ethoxyphenyl)-5-methyl-7-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C22H20F3N5O2 — CID 4897765

IUPACN-(4-ethoxyphenyl)-5-methyl-7-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccc(NC(=O)C2=C(C)Nc3nc(C(F)(F)F)nn3C2c2ccccc2)cc1
InChIInChI=1S/C22H20F3N5O2/c1-3-32-16-11-9-15(10-12-16)27-19(31)17-13(2)26-21-28-20(22(23,24)25)29-30(21)18(17)14-7-5-4-6-8-14/h4-12,18H,3H2,1-2H3,(H,27,31)(H,26,28,29)
InChIKeyUXASSEUDOQFKKK-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.62
Rot. Bonds5

About N-(4-ethoxyphenyl)-5-methyl-7-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-(4-ethoxyphenyl)-5-methyl-7-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 4897765) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-methyl-7-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-methyl-7-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID4897765
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC NameN-(4-ethoxyphenyl)-5-methyl-7-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccc(NC(=O)C2=C(C)Nc3nc(C(F)(F)F)nn3C2c2ccccc2)cc1
InChIInChI=1S/C22H20F3N5O2/c1-3-32-16-11-9-15(10-12-16)27-19(31)17-13(2)26-21-28-20(22(23,24)25)29-30(21)18(17)14-7-5-4-6-8-14/h4-12,18H,3H2,1-2H3,(H,27,31)(H,26,28,29)
InChIKeyUXASSEUDOQFKKK-UHFFFAOYSA-N
XLogP4.62
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-N-(4-chlorophenyl)-7-(4-ethoxyphenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136883130
7-[4-(difluoromethoxy)phenyl]-5-methyl-N-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3903136
(7S)-N-(4-chlorophenyl)-7-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136878437
N,7-bis(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135572653
(7S)-N-(4-chlorophenyl)-5-methyl-7-pyridin-4-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136910789
7-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135572649
2-(4-ethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135759302
(7S)-7-(3-hydroxy-4-methoxyphenyl)-5-methyl-N-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136920056
ethyl (7R)-7-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 137090238
7-(4-ethoxyphenyl)-2-(3-hydroxypropyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135437074
7-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135847394
2-(4-ethoxyphenyl)-5-methyl-N-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135594323

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-methyl-7-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-methyl-7-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 4897765) is N-(4-ethoxyphenyl)-5-methyl-7-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-methyl-7-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-methyl-7-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1ccc(NC(=O)C2=C(C)Nc3nc(C(F)(F)F)nn3C2c2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-methyl-7-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UXASSEUDOQFKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-3-32-16-11-9-15(10-12-16)27-19(31)17-13(2)26-21-28-20(22(23,24)25)29-30(21)18(17)14-7-5-4-6-8-14/h4-12,18H,3H2,1-2H3,(H,27,31)(H,26,28,29).
What are the key properties of N-(4-ethoxyphenyl)-5-methyl-7-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-(4-ethoxyphenyl)-5-methyl-7-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-methyl-7-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4897765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).