(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide

C11H12ClN5O — CID 142498380

IUPAC(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1c1nc(Cl)nn2cccc12
InChIInChI=1S/C11H12ClN5O/c12-11-14-10(8-4-2-6-17(8)15-11)16-5-1-3-7(16)9(13)18/h2,4,6-7H,1,3,5H2,(H2,13,18)/t7-/m0/s1
InChIKeyQZHYVMBSVSARKV-ZETCQYMHSA-N
MW265.70 g/mol
LogP0.84
Rot. Bonds2

About (2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide

(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 142498380) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is (2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide
PubChem CID142498380
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1c1nc(Cl)nn2cccc12
InChIInChI=1S/C11H12ClN5O/c12-11-14-10(8-4-2-6-17(8)15-11)16-5-1-3-7(16)9(13)18/h2,4,6-7H,1,3,5H2,(H2,13,18)/t7-/m0/s1
InChIKeyQZHYVMBSVSARKV-ZETCQYMHSA-N
XLogP0.84
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide 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

2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 142498710
[(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol
CID 137363510
2-(2-carbamoylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477869
1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide
CID 62868559
2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 63380093
1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 80765389
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 63736298
(2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 40810173
[(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
1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide
CID 43183688
(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58067491

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide (CID 142498380) is (2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1c1nc(Cl)nn2cccc12.
What is the InChIKey of (2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is QZHYVMBSVSARKV-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12ClN5O/c12-11-14-10(8-4-2-6-17(8)15-11)16-5-1-3-7(16)9(13)18/h2,4,6-7H,1,3,5H2,(H2,13,18)/t7-/m0/s1.
What are the key properties of (2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide?
(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 142498380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).