(2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one

C15H19N5O — CID 120873617

IUPAC(2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCCC1c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H19N5O/c1-10(16)15(21)20-9-5-8-12(20)14-17-13(18-19-14)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9,16H2,1H3,(H,17,18,19)/t10-,12?/m1/s1
InChIKeyOHSCHCOQJHACPH-RWANSRKNSA-N
MW285.35 g/mol
LogP1.48
Rot. Bonds3

About (2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one

(2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 120873617) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID120873617
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCCC1c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H19N5O/c1-10(16)15(21)20-9-5-8-12(20)14-17-13(18-19-14)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9,16H2,1H3,(H,17,18,19)/t10-,12?/m1/s1
InChIKeyOHSCHCOQJHACPH-RWANSRKNSA-N
XLogP1.48
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-hydroxy-4-methyl-1-[(2R)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 99776576
5-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 127712850
(1-phenylcyclopropyl)-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 87052044
[(2R)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 97252746
(2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
CID 97252833
(1,5-dimethylpyrazol-3-yl)-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 87052050
[(2S)-4-methylmorpholin-2-yl]-[(2R)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 99776573
2H-benzotriazol-5-yl-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 136518832
(2-methoxy-3-pyridinyl)-[(2R)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 97063239
[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
CID 127688943
tert-butyl 2-[3-(4-iodophenyl)-1H-1,2,4-triazol-5-yl]pyrrolidine-1-carboxylate
CID 66629137
2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanoic acid
CID 119958609

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one (CID 120873617) is (2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCCC1c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of (2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is OHSCHCOQJHACPH-RWANSRKNSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10(16)15(21)20-9-5-8-12(20)14-17-13(18-19-14)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9,16H2,1H3,(H,17,18,19)/t10-,12?/m1/s1.
What are the key properties of (2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one?
(2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 285.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 120873617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).