1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone

C18H25N5O — CID 94885492

IUPAC1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
SMILESO=C(Cc1nc2ncccn2n1)N1CCC[C@@H]1CC1CCCCC1
InChIInChI=1S/C18H25N5O/c24-17(13-16-20-18-19-9-5-11-23(18)21-16)22-10-4-8-15(22)12-14-6-2-1-3-7-14/h5,9,11,14-15H,1-4,6-8,10,12-13H2/t15-/m1/s1
InChIKeyKJSAOVWDLTYJOD-OAHLLOKOSA-N
MW327.43 g/mol
LogP2.63
Rot. Bonds4

About 1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone

1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone (PubChem CID 94885492) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
PubChem CID94885492
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
SMILESO=C(Cc1nc2ncccn2n1)N1CCC[C@@H]1CC1CCCCC1
InChIInChI=1S/C18H25N5O/c24-17(13-16-20-18-19-9-5-11-23(18)21-16)22-10-4-8-15(22)12-14-6-2-1-3-7-14/h5,9,11,14-15H,1-4,6-8,10,12-13H2/t15-/m1/s1
InChIKeyKJSAOVWDLTYJOD-OAHLLOKOSA-N
XLogP2.63
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone 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

1-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 94620506
1-[(2R)-2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 98753946
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 97018393
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 97018394
1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 94654421
N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 24870601
[2-(cyclobutylmethyl)piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone
CID 154843796
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 87025761
N-phenyl-N'-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidine-1-carboximidamide
CID 122099280
1-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 60604851
1-[3-(methylsulfonimidoyl)azetidin-1-yl]-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one
CID 167880196
N-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 167811288

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?
The IUPAC name of 1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone (CID 94885492) is 1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone is O=C(Cc1nc2ncccn2n1)N1CCC[C@@H]1CC1CCCCC1.
What is the InChIKey of 1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?
The InChIKey is KJSAOVWDLTYJOD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O/c24-17(13-16-20-18-19-9-5-11-23(18)21-16)22-10-4-8-15(22)12-14-6-2-1-3-7-14/h5,9,11,14-15H,1-4,6-8,10,12-13H2/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?
1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone has a molecular weight of 327.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone is sourced from PubChem (CID 94885492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).