7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C16H18N6O — CID 58514385

IUPAC7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1cncc(COC[C@H]2CCCN2c2ccnc3ncnn23)c1
InChIInChI=1S/C16H18N6O/c1-3-13(9-17-6-1)10-23-11-14-4-2-8-21(14)15-5-7-18-16-19-12-20-22(15)16/h1,3,5-7,9,12,14H,2,4,8,10-11H2/t14-/m1/s1
InChIKeySPCLRPBPNWULDN-CQSZACIVSA-N
MW310.36 g/mol
LogP1.70
Rot. Bonds5

About 7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 58514385) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID58514385
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1cncc(COC[C@H]2CCCN2c2ccnc3ncnn23)c1
InChIInChI=1S/C16H18N6O/c1-3-13(9-17-6-1)10-23-11-14-4-2-8-21(14)15-5-7-18-16-19-12-20-22(15)16/h1,3,5-7,9,12,14H,2,4,8,10-11H2/t14-/m1/s1
InChIKeySPCLRPBPNWULDN-CQSZACIVSA-N
XLogP1.70
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate
CID 58514351
[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
CID 66995898
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
3-[8-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-amine
CID 58514373
2-[[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925948
4-amino-1-[8-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one
CID 58514393
3-(oxiran-2-ylmethoxymethyl)pyridine
CID 23054420
2-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid
CID 118952958
tert-butyl 2-[2-(pyridin-3-ylmethoxy)ethyl]piperidine-1-carboxylate
CID 71631648
(3aS,5R,7aS)-5-(pyridin-3-ylmethoxymethyl)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461237
N-[(1S)-1-(carbamoylamino)-2-oxo-2-[8-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]acetamide
CID 58514434

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 58514385) is 7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is c1cncc(COC[C@H]2CCCN2c2ccnc3ncnn23)c1.
What is the InChIKey of 7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SPCLRPBPNWULDN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N6O/c1-3-13(9-17-6-1)10-23-11-14-4-2-8-21(14)15-5-7-18-16-19-12-20-22(15)16/h1,3,5-7,9,12,14H,2,4,8,10-11H2/t14-/m1/s1.
What are the key properties of 7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 310.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58514385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).