2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C17H19N5O — CID 166260444

IUPAC2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nccc(N3CCC[C@H]3COc3ccccc3)n2n1
InChIInChI=1S/C17H19N5O/c1-13-19-17-18-10-9-16(22(17)20-13)21-11-5-6-14(21)12-23-15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-12H2,1H3/t14-/m0/s1
InChIKeyZDDZCOMDKOOKLE-AWEZNQCLSA-N
MW309.37 g/mol
LogP2.48
Rot. Bonds4

About 2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 166260444) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID166260444
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nccc(N3CCC[C@H]3COc3ccccc3)n2n1
InChIInChI=1S/C17H19N5O/c1-13-19-17-18-10-9-16(22(17)20-13)21-11-5-6-14(21)12-23-15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-12H2,1H3/t14-/m0/s1
InChIKeyZDDZCOMDKOOKLE-AWEZNQCLSA-N
XLogP2.48
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine 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-methyl-7-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166303847
2,5-dimethyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166251605
4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 133310050
N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 166303846
3-methyl-6-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166303869
3-ethyl-6-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166235494
7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58514385
8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 136582369
2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 30465384
4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 57106797
4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde
CID 11129755
5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 136582335

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 166260444) is 2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nccc(N3CCC[C@H]3COc3ccccc3)n2n1.
What is the InChIKey of 2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZDDZCOMDKOOKLE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N5O/c1-13-19-17-18-10-9-16(22(17)20-13)21-11-5-6-14(21)12-23-15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 309.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 166260444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).