[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

C18H19N5O — CID 95296605

IUPAC[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1ccccc1[C@H]1CCN(C(=O)c2nc3nccc(C)n3n2)C1
InChIInChI=1S/C18H19N5O/c1-12-5-3-4-6-15(12)14-8-10-22(11-14)17(24)16-20-18-19-9-7-13(2)23(18)21-16/h3-7,9,14H,8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyRUVNMMNYPWCRKK-AWEZNQCLSA-N
MW321.38 g/mol
LogP2.37
Rot. Bonds2

About [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 95296605) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID95296605
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1ccccc1[C@H]1CCN(C(=O)c2nc3nccc(C)n3n2)C1
InChIInChI=1S/C18H19N5O/c1-12-5-3-4-6-15(12)14-8-10-22(11-14)17(24)16-20-18-19-9-7-13(2)23(18)21-16/h3-7,9,14H,8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyRUVNMMNYPWCRKK-AWEZNQCLSA-N
XLogP2.37
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 66261903
(2,6-dimethylmorpholin-4-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 51172629
[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 95978646
methyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate
CID 154847514
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 18157985
(3S,4S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951460
[4-(2-ethoxyphenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 31813863
3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146664
[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95331641
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95331642
N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18150434

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (CID 95296605) is [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is Cc1ccccc1[C@H]1CCN(C(=O)c2nc3nccc(C)n3n2)C1.
What is the InChIKey of [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is RUVNMMNYPWCRKK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-5-3-4-6-15(12)14-8-10-22(11-14)17(24)16-20-18-19-9-7-13(2)23(18)21-16/h3-7,9,14H,8,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 95296605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).