2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone

C13H16N6O — CID 95827703

IUPAC2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
SMILESNCC(=O)N1CCC[C@@H]1c1nccnc1-n1ccnc1
InChIInChI=1S/C13H16N6O/c14-8-11(20)19-6-1-2-10(19)12-13(17-4-3-16-12)18-7-5-15-9-18/h3-5,7,9-10H,1-2,6,8,14H2/t10-/m1/s1
InChIKeyOLDFAQUFDCMSEL-SNVBAGLBSA-N
MW272.31 g/mol
LogP0.28
Rot. Bonds3

About 2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone

2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95827703) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID95827703
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
SMILESNCC(=O)N1CCC[C@@H]1c1nccnc1-n1ccnc1
InChIInChI=1S/C13H16N6O/c14-8-11(20)19-6-1-2-10(19)12-13(17-4-3-16-12)18-7-5-15-9-18/h3-5,7,9-10H,1-2,6,8,14H2/t10-/m1/s1
InChIKeyOLDFAQUFDCMSEL-SNVBAGLBSA-N
XLogP0.28
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone (CID 95827703) is 2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone is NCC(=O)N1CCC[C@@H]1c1nccnc1-n1ccnc1.
What is the InChIKey of 2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is OLDFAQUFDCMSEL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N6O/c14-8-11(20)19-6-1-2-10(19)12-13(17-4-3-16-12)18-7-5-15-9-18/h3-5,7,9-10H,1-2,6,8,14H2/t10-/m1/s1.
What are the key properties of 2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone?
2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 272.31 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95827703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).