4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid

C12H15N5O3 — CID 71134193

IUPAC4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid
SMILESNc1ncnn2c(C3(O)CCN(C(=O)O)CC3)ccc12
InChIInChI=1S/C12H15N5O3/c13-10-8-1-2-9(17(8)15-7-14-10)12(20)3-5-16(6-4-12)11(18)19/h1-2,7,20H,3-6H2,(H,18,19)(H2,13,14,15)
InChIKeyKZDOLQFXDJBQIM-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.27
Rot. Bonds1

About 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid

4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 71134193) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid
PubChem CID71134193
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid
SMILESNc1ncnn2c(C3(O)CCN(C(=O)O)CC3)ccc12
InChIInChI=1S/C12H15N5O3/c13-10-8-1-2-9(17(8)15-7-14-10)12(20)3-5-16(6-4-12)11(18)19/h1-2,7,20H,3-6H2,(H,18,19)(H2,13,14,15)
InChIKeyKZDOLQFXDJBQIM-UHFFFAOYSA-N
XLogP0.27
TPSA116.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxypiperidine-1-carboxylic acid
CID 69304383
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)-2,3,4,7-tetrahydroazepine-1-carboxylic acid
CID 123516938
3-[(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]pyrrolidine-1-carboxylic acid
CID 123228089
5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid
CID 123225587
4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile
CID 123779590
7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 90176299
2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-2-ol
CID 123596823
[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-methyloxolan-2-yl]methyl methyl carbonate
CID 169174205
4-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylic acid
CID 123334341
2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxyoxolane-2-carbonitrile
CID 177254509
(3R,4R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol
CID 147770272

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid (CID 71134193) is 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid is Nc1ncnn2c(C3(O)CCN(C(=O)O)CC3)ccc12.
What is the InChIKey of 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is KZDOLQFXDJBQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c13-10-8-1-2-9(17(8)15-7-14-10)12(20)3-5-16(6-4-12)11(18)19/h1-2,7,20H,3-6H2,(H,18,19)(H2,13,14,15).
What are the key properties of 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid?
4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 71134193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).