N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C17H14F3N5O — CID 121195973

IUPACN-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCc1cn(-c2ccncc2)nn1
InChIInChI=1S/C17H14F3N5O/c18-17(19,20)13-3-1-12(2-4-13)9-16(26)22-10-14-11-25(24-23-14)15-5-7-21-8-6-15/h1-8,11H,9-10H2,(H,22,26)
InChIKeyDZEPAPIGVGEYPN-UHFFFAOYSA-N
MW361.33 g/mol
LogP2.54
Rot. Bonds5

About N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 121195973) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID121195973
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCc1cn(-c2ccncc2)nn1
InChIInChI=1S/C17H14F3N5O/c18-17(19,20)13-3-1-12(2-4-13)9-16(26)22-10-14-11-25(24-23-14)15-5-7-21-8-6-15/h1-8,11H,9-10H2,(H,22,26)
InChIKeyDZEPAPIGVGEYPN-UHFFFAOYSA-N
XLogP2.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 121195973) is N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)NCc1cn(-c2ccncc2)nn1.
What is the InChIKey of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DZEPAPIGVGEYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O/c18-17(19,20)13-3-1-12(2-4-13)9-16(26)22-10-14-11-25(24-23-14)15-5-7-21-8-6-15/h1-8,11H,9-10H2,(H,22,26).
What are the key properties of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 361.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 121195973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).