8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine

C19H23N5O — CID 136582369

IUPAC8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)c1nnc2c(N3CCC[C@H]3COc3ccccc3)nccn12
InChIInChI=1S/C19H23N5O/c1-14(2)17-21-22-19-18(20-10-12-24(17)19)23-11-6-7-15(23)13-25-16-8-4-3-5-9-16/h3-5,8-10,12,14-15H,6-7,11,13H2,1-2H3/t15-/m0/s1
InChIKeyFBQKVCAOCHMGDT-HNNXBMFYSA-N
MW337.43 g/mol
LogP3.30
Rot. Bonds5

About 8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine

8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 136582369) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID136582369
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)c1nnc2c(N3CCC[C@H]3COc3ccccc3)nccn12
InChIInChI=1S/C19H23N5O/c1-14(2)17-21-22-19-18(20-10-12-24(17)19)23-11-6-7-15(23)13-25-16-8-4-3-5-9-16/h3-5,8-10,12,14-15H,6-7,11,13H2,1-2H3/t15-/m0/s1
InChIKeyFBQKVCAOCHMGDT-HNNXBMFYSA-N
XLogP3.30
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 166303846
4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 133310050
2-methyl-7-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166303847
2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166260444
2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 96538811
3-methyl-6-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166303869
4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 57106797
4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde
CID 11129755
3-ethyl-6-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166235494
2,5-dimethyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166251605
tert-butyl-dimethyl-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]silane
CID 177415257
4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine
CID 123836897

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine (CID 136582369) is 8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)c1nnc2c(N3CCC[C@H]3COc3ccccc3)nccn12.
What is the InChIKey of 8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is FBQKVCAOCHMGDT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14(2)17-21-22-19-18(20-10-12-24(17)19)23-11-6-7-15(23)13-25-16-8-4-3-5-9-16/h3-5,8-10,12,14-15H,6-7,11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of 8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 337.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 136582369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).