sodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate

C14H9F3N5NaO2 — CID 155797027

IUPACsodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate
SMILESCc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)[O-].[Na+]
InChIInChI=1S/C14H10F3N5O2.Na/c1-6-8(13(23)24)2-7(4-19-6)10-3-9(14(15,16)17)11-12(18)20-5-21-22(10)11;/h2-5H,1H3,(H,23,24)(H2,18,20,21);/q;+1/p-1
InChIKeyGSHZHTDGJGPFRA-UHFFFAOYSA-M
MW359.24 g/mol
LogP-1.93
Rot. Bonds2

About sodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate

sodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate (PubChem CID 155797027) has the molecular formula C14H9F3N5NaO2 and a molecular weight of 359.24 g/mol. Its IUPAC name is sodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namesodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate
PubChem CID155797027
Molecular FormulaC14H9F3N5NaO2
Molecular Weight359.24 g/mol
Exact Mass359.06
IUPAC Namesodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate
SMILESCc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)[O-].[Na+]
InChIInChI=1S/C14H10F3N5O2.Na/c1-6-8(13(23)24)2-7(4-19-6)10-3-9(14(15,16)17)11-12(18)20-5-21-22(10)11;/h2-5H,1H3,(H,23,24)(H2,18,20,21);/q;+1/p-1
InChIKeyGSHZHTDGJGPFRA-UHFFFAOYSA-M
XLogP-1.93
TPSA109.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 5-1.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide
CID 155251940
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3S,4S)-1-(3,3-difluorocyclobutanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methylpyridine-3-carboxamide
CID 155252412
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-fluorobenzoic acid
CID 139349272
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-1-(4,4-difluorocyclohexanecarbonyl)-4-fluoropyrrolidin-3-yl]-2-methylpyridine-3-carboxamide
CID 139348862
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R)-4-fluoro-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-2-methylpyridine-3-carboxamide
CID 155261558
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-1-(2,5-difluorobenzoyl)-4-fluoropyrrolidin-3-yl]-2-methylpyridine-3-carboxamide
CID 155252221
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide
CID 139348888
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide
CID 139348935
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 139349052
2-amino-5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[3-(4-chlorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide
CID 139349204
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(2-fluoro-2-methylpropanoyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155251875
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 139349039

Frequently Asked Questions

What is the IUPAC name of sodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate?
The IUPAC name of sodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate (CID 155797027) is sodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for sodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for sodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate is Cc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)[O-].[Na+].
What is the InChIKey of sodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate?
The InChIKey is GSHZHTDGJGPFRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10F3N5O2.Na/c1-6-8(13(23)24)2-7(4-19-6)10-3-9(14(15,16)17)11-12(18)20-5-21-22(10)11;/h2-5H,1H3,(H,23,24)(H2,18,20,21);/q;+1/p-1.
What are the key properties of sodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate?
sodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate has a molecular weight of 359.24 g/mol, XLogP of -1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 155797027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).