[(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol

C11H13ClN4O — CID 137363510

IUPAC[(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1nc(Cl)nn2cccc12
InChIInChI=1S/C11H13ClN4O/c12-11-13-10(9-4-2-6-16(9)14-11)15-5-1-3-8(15)7-17/h2,4,6,8,17H,1,3,5,7H2/t8-/m1/s1
InChIKeyBVOCJKZUUAFAMW-MRVPVSSYSA-N
MW252.70 g/mol
LogP1.34
Rot. Bonds2

About [(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol

[(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 137363510) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is [(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID137363510
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name[(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1nc(Cl)nn2cccc12
InChIInChI=1S/C11H13ClN4O/c12-11-13-10(9-4-2-6-16(9)14-11)15-5-1-3-8(15)7-17/h2,4,6,8,17H,1,3,5,7H2/t8-/m1/s1
InChIKeyBVOCJKZUUAFAMW-MRVPVSSYSA-N
XLogP1.34
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 142498710
(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
[(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-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 79075782
[1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 137363788
[(2S)-1-[2-[[1-(3-methoxy-5-methylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-2-yl]methanol
CID 137363242
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
[(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-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane
CID 142498271
[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride
CID 121020669
[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 142498248

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol (CID 137363510) is [(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1c1nc(Cl)nn2cccc12.
What is the InChIKey of [(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is BVOCJKZUUAFAMW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c12-11-13-10(9-4-2-6-16(9)14-11)15-5-1-3-8(15)7-17/h2,4,6,8,17H,1,3,5,7H2/t8-/m1/s1.
What are the key properties of [(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol?
[(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 252.70 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 137363510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).