6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-phenylpyridazine-3-carboxamide

C14H10F3N7O — CID 177237593

IUPAC6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-phenylpyridazine-3-carboxamide
SMILESNc1nc(C(F)(F)F)nn1-c1ccc(C(=O)Nc2ccccc2)nn1
InChIInChI=1S/C14H10F3N7O/c15-14(16,17)12-20-13(18)24(23-12)10-7-6-9(21-22-10)11(25)19-8-4-2-1-3-5-8/h1-7H,(H,19,25)(H2,18,20,23)
InChIKeyUDVJJOXDLVVNLP-UHFFFAOYSA-N
MW349.28 g/mol
LogP1.91
Rot. Bonds3

About 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-phenylpyridazine-3-carboxamide

6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-phenylpyridazine-3-carboxamide (PubChem CID 177237593) has the molecular formula C14H10F3N7O and a molecular weight of 349.28 g/mol. Its IUPAC name is 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-phenylpyridazine-3-carboxamide
PubChem CID177237593
Molecular FormulaC14H10F3N7O
Molecular Weight349.28 g/mol
Exact Mass349.09
IUPAC Name6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-phenylpyridazine-3-carboxamide
SMILESNc1nc(C(F)(F)F)nn1-c1ccc(C(=O)Nc2ccccc2)nn1
InChIInChI=1S/C14H10F3N7O/c15-14(16,17)12-20-13(18)24(23-12)10-7-6-9(21-22-10)11(25)19-8-4-2-1-3-5-8/h1-7H,(H,19,25)(H2,18,20,23)
InChIKeyUDVJJOXDLVVNLP-UHFFFAOYSA-N
XLogP1.91
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide
CID 177237406
6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide
CID 177237600
(3S,4S)-1-[6-(phenylcarbamoyl)pyridazin-3-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063887
6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313221
6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313205
N-phenylpyridazine-3-carboxamide
CID 23633015
1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122051199
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 71791814
N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133313399

Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-phenylpyridazine-3-carboxamide (CID 177237593) is 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-phenylpyridazine-3-carboxamide is Nc1nc(C(F)(F)F)nn1-c1ccc(C(=O)Nc2ccccc2)nn1.
What is the InChIKey of 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-phenylpyridazine-3-carboxamide?
The InChIKey is UDVJJOXDLVVNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N7O/c15-14(16,17)12-20-13(18)24(23-12)10-7-6-9(21-22-10)11(25)19-8-4-2-1-3-5-8/h1-7H,(H,19,25)(H2,18,20,23).
What are the key properties of 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-phenylpyridazine-3-carboxamide?
6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-phenylpyridazine-3-carboxamide has a molecular weight of 349.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 177237593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).