2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

C18H21N7O — CID 124982957

IUPAC2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCN(C)c1cncc([C@H]2CCCN2C(=O)Cn2nc3ccccc3n2)n1
InChIInChI=1S/C18H21N7O/c1-23(2)17-11-19-10-15(20-17)16-8-5-9-24(16)18(26)12-25-21-13-6-3-4-7-14(13)22-25/h3-4,6-7,10-11,16H,5,8-9,12H2,1-2H3/t16-/m1/s1
InChIKeyNARMZWWANJOESL-MRXNPFEDSA-N
MW351.41 g/mol
LogP1.65
Rot. Bonds4

About 2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 124982957) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID124982957
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCN(C)c1cncc([C@H]2CCCN2C(=O)Cn2nc3ccccc3n2)n1
InChIInChI=1S/C18H21N7O/c1-23(2)17-11-19-10-15(20-17)16-8-5-9-24(16)18(26)12-25-21-13-6-3-4-7-14(13)22-25/h3-4,6-7,10-11,16H,5,8-9,12H2,1-2H3/t16-/m1/s1
InChIKeyNARMZWWANJOESL-MRXNPFEDSA-N
XLogP1.65
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124977676
1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 127247057
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 127247055
2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 77091255
1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 110105894
1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 127247042
2,3-dihydro-1H-inden-5-yl-[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124976327
3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 125018164
2-(benzotriazol-2-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110105592
[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 110149487
1-[(2S)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
CID 125021298
1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
CID 125021297

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (CID 124982957) is 2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is CN(C)c1cncc([C@H]2CCCN2C(=O)Cn2nc3ccccc3n2)n1.
What is the InChIKey of 2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is NARMZWWANJOESL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N7O/c1-23(2)17-11-19-10-15(20-17)16-8-5-9-24(16)18(26)12-25-21-13-6-3-4-7-14(13)22-25/h3-4,6-7,10-11,16H,5,8-9,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 351.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124982957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).