2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol

C13H17ClN4O — CID 142498710

IUPAC2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)C1CCCN1c1nc(Cl)nn2cccc12
InChIInChI=1S/C13H17ClN4O/c1-13(2,19)10-6-4-7-17(10)11-9-5-3-8-18(9)16-12(14)15-11/h3,5,8,10,19H,4,6-7H2,1-2H3
InChIKeyDWLGOTHYPMNCFD-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.12
Rot. Bonds2

About 2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol

2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 142498710) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol
PubChem CID142498710
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)C1CCCN1c1nc(Cl)nn2cccc12
InChIInChI=1S/C13H17ClN4O/c1-13(2,19)10-6-4-7-17(10)11-9-5-3-8-18(9)16-12(14)15-11/h3,5,8,10,19H,4,6-7H2,1-2H3
InChIKeyDWLGOTHYPMNCFD-UHFFFAOYSA-N
XLogP2.12
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol with MolForge

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Related Compounds

[(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol
CID 137363510
(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide
CID 142498380
[5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol
CID 137363159
2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 166081566
[(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol;1-phenylimidazol-4-amine;[(2S)-1-[2-[(1-phenylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-2-yl]methanol
CID 167693342
tert-butyl (3R)-3-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]piperidine-1-carboxylate
CID 122430848
2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol
CID 97075977
2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol
CID 129433337
[(2S)-1-[2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-2-yl]methanol
CID 137363820
1-[5-(4-aminoimidazol-1-yl)-2,3-dimethoxyphenyl]ethanone;[(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol;1-[5-[4-[[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]imidazol-1-yl]-3-methoxy-2-methylphenyl]ethanone
CID 167711344
2-[(2R)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidin-2-yl]propan-2-ol
CID 24769102
(2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
CID 175094409

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol (CID 142498710) is 2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol is CC(C)(O)C1CCCN1c1nc(Cl)nn2cccc12.
What is the InChIKey of 2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is DWLGOTHYPMNCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-13(2,19)10-6-4-7-17(10)11-9-5-3-8-18(9)16-12(14)15-11/h3,5,8,10,19H,4,6-7H2,1-2H3.
What are the key properties of 2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol?
2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 280.76 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 142498710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).