N-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C13H10Cl2F3N5O — CID 167875924

IUPACN-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C13H10Cl2F3N5O/c14-8-2-1-7(5-9(8)15)19-12(24)22-3-4-23-10(6-22)20-21-11(23)13(16,17)18/h1-2,5H,3-4,6H2,(H,19,24)
InChIKeyYZAAVSKLKZQQGJ-UHFFFAOYSA-N
MW380.16 g/mol
LogP3.65
Rot. Bonds1

About N-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

N-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 167875924) has the molecular formula C13H10Cl2F3N5O and a molecular weight of 380.16 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID167875924
Molecular FormulaC13H10Cl2F3N5O
Molecular Weight380.16 g/mol
Exact Mass379.02
IUPAC NameN-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C13H10Cl2F3N5O/c14-8-2-1-7(5-9(8)15)19-12(24)22-3-4-23-10(6-22)20-21-11(23)13(16,17)18/h1-2,5H,3-4,6H2,(H,19,24)
InChIKeyYZAAVSKLKZQQGJ-UHFFFAOYSA-N
XLogP3.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.16
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 166243093
N-(2-chloro-4-methylphenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 166212147
(5-chloro-2-fluorophenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 166178822
2-(2-chloro-4-methylphenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 166220907
methyl 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 115642436
N-(4-chlorophenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134791783
4-chloro-3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]benzoic acid
CID 136550574
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334296
N-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 136525083
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
3-[chloro(difluoro)methyl]-N-[(4-chloro-2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 166272306

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 167875924) is N-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is YZAAVSKLKZQQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N5O/c14-8-2-1-7(5-9(8)15)19-12(24)22-3-4-23-10(6-22)20-21-11(23)13(16,17)18/h1-2,5H,3-4,6H2,(H,19,24).
What are the key properties of N-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 380.16 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 167875924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).