4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid

C13H14N6O2 — CID 123334341

IUPAC4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid
SMILESN#Cc1cc2c(N)ncnn2c1C1CCN(C(=O)O)CC1
InChIInChI=1S/C13H14N6O2/c14-6-9-5-10-12(15)16-7-17-19(10)11(9)8-1-3-18(4-2-8)13(20)21/h5,7-8H,1-4H2,(H,20,21)(H2,15,16,17)
InChIKeyMXOGQAXZBJZSQR-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.04
Rot. Bonds1

About 4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid

4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid (PubChem CID 123334341) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid
PubChem CID123334341
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid
SMILESN#Cc1cc2c(N)ncnn2c1C1CCN(C(=O)O)CC1
InChIInChI=1S/C13H14N6O2/c14-6-9-5-10-12(15)16-7-17-19(10)11(9)8-1-3-18(4-2-8)13(20)21/h5,7-8H,1-4H2,(H,20,21)(H2,15,16,17)
InChIKeyMXOGQAXZBJZSQR-UHFFFAOYSA-N
XLogP1.04
TPSA120.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-amino-5-(4-aminophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylic acid
CID 130447831
3-[(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]pyrrolidine-1-carboxylic acid
CID 123228089
4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid
CID 71134193
4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid
CID 138687738
4-[4-amino-5-(2-benzyl-3-methylbenzimidazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylic acid
CID 123278675
4-(5-amino-3-pyridinyl)piperidine-1-carboxylic acid
CID 69115418
3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxypiperidine-1-carboxylic acid
CID 69304383
4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid
CID 156503712
4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
CID 130362883
4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid
CID 18359197
4-(5-cyano-4-ethynylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 87416642
5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 139364482

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid (CID 123334341) is 4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid is N#Cc1cc2c(N)ncnn2c1C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid?
The InChIKey is MXOGQAXZBJZSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c14-6-9-5-10-12(15)16-7-17-19(10)11(9)8-1-3-18(4-2-8)13(20)21/h5,7-8H,1-4H2,(H,20,21)(H2,15,16,17).
What are the key properties of 4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid?
4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid has a molecular weight of 286.30 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 123334341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).