5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid

C12H13N5O2 — CID 123225587

IUPAC5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESNc1ncnn2c(C3=CN(C(=O)O)CCC3)ccc12
InChIInChI=1S/C12H13N5O2/c13-11-10-4-3-9(17(10)15-7-14-11)8-2-1-5-16(6-8)12(18)19/h3-4,6-7H,1-2,5H2,(H,18,19)(H2,13,14,15)
InChIKeyFCBOEAGFLPGDLC-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.43
Rot. Bonds1

About 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid

5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 123225587) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID123225587
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESNc1ncnn2c(C3=CN(C(=O)O)CCC3)ccc12
InChIInChI=1S/C12H13N5O2/c13-11-10-4-3-9(17(10)15-7-14-11)8-2-1-5-16(6-8)12(18)19/h3-4,6-7H,1-2,5H2,(H,18,19)(H2,13,14,15)
InChIKeyFCBOEAGFLPGDLC-UHFFFAOYSA-N
XLogP1.43
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid with MolForge

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Related Compounds

5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,7-tetrahydroazepine-1-carboxylic acid
CID 123516938
4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid
CID 71134193
7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 131980519
3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxypiperidine-1-carboxylic acid
CID 69304383
[3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 167100608
tert-butyl 7-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 58529670
7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 90176299
3-[(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]pyrrolidine-1-carboxylic acid
CID 123228089
1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 90397339
tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxyazepane-1-carboxylate
CID 58529537
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydrofuran-2-yl]methyl 2-phenylacetate
CID 167259082
ethane;7-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145368095

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid (CID 123225587) is 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid is Nc1ncnn2c(C3=CN(C(=O)O)CCC3)ccc12.
What is the InChIKey of 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is FCBOEAGFLPGDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c13-11-10-4-3-9(17(10)15-7-14-11)8-2-1-5-16(6-8)12(18)19/h3-4,6-7H,1-2,5H2,(H,18,19)(H2,13,14,15).
What are the key properties of 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid?
5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 259.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 123225587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).