1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone

C15H20N6O — CID 110257549

IUPAC1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nccnc1NCc1nccn1C
InChIInChI=1S/C15H20N6O/c1-11(22)21-8-3-4-12(21)14-15(18-6-5-17-14)19-10-13-16-7-9-20(13)2/h5-7,9,12H,3-4,8,10H2,1-2H3,(H,18,19)
InChIKeyMKJCLLPKMUUMQR-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.51
Rot. Bonds4

About 1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone

1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110257549) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID110257549
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nccnc1NCc1nccn1C
InChIInChI=1S/C15H20N6O/c1-11(22)21-8-3-4-12(21)14-15(18-6-5-17-14)19-10-13-16-7-9-20(13)2/h5-7,9,12H,3-4,8,10H2,1-2H3,(H,18,19)
InChIKeyMKJCLLPKMUUMQR-UHFFFAOYSA-N
XLogP1.51
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone
CID 95846739
3-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 83062959
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024
1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 86998698
4,6-dimethyl-N-[3-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine
CID 124996634
1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110101703
1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844570
3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 95844542
3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile
CID 63239072
1-[2-[2-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540255
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95815928

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone (CID 110257549) is 1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1nccnc1NCc1nccn1C.
What is the InChIKey of 1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is MKJCLLPKMUUMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11(22)21-8-3-4-12(21)14-15(18-6-5-17-14)19-10-13-16-7-9-20(13)2/h5-7,9,12H,3-4,8,10H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 300.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110257549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).