N-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide

C13H11F3N6O — CID 166321539

IUPACN-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide
SMILESCc1[nH]nc2cc(NC(=O)Cn3cc(C(F)(F)F)nn3)ccc12
InChIInChI=1S/C13H11F3N6O/c1-7-9-3-2-8(4-10(9)19-18-7)17-12(23)6-22-5-11(20-21-22)13(14,15)16/h2-5H,6H2,1H3,(H,17,23)(H,18,19)
InChIKeyJCJYZMIWYHFNEG-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.12
Rot. Bonds3

About N-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide

N-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide (PubChem CID 166321539) has the molecular formula C13H11F3N6O and a molecular weight of 324.27 g/mol. Its IUPAC name is N-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide
PubChem CID166321539
Molecular FormulaC13H11F3N6O
Molecular Weight324.27 g/mol
Exact Mass324.09
IUPAC NameN-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide
SMILESCc1[nH]nc2cc(NC(=O)Cn3cc(C(F)(F)F)nn3)ccc12
InChIInChI=1S/C13H11F3N6O/c1-7-9-3-2-8(4-10(9)19-18-7)17-12(23)6-22-5-11(20-21-22)13(14,15)16/h2-5H,6H2,1H3,(H,17,23)(H,18,19)
InChIKeyJCJYZMIWYHFNEG-UHFFFAOYSA-N
XLogP2.12
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide (CID 166321539) is N-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide is Cc1[nH]nc2cc(NC(=O)Cn3cc(C(F)(F)F)nn3)ccc12.
What is the InChIKey of N-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide?
The InChIKey is JCJYZMIWYHFNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N6O/c1-7-9-3-2-8(4-10(9)19-18-7)17-12(23)6-22-5-11(20-21-22)13(14,15)16/h2-5H,6H2,1H3,(H,17,23)(H,18,19).
What are the key properties of N-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide?
N-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide has a molecular weight of 324.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 166321539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).