1-[2-[(E)-2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-4-yl]pyrrolidin-2-one

C17H19N7O — CID 140739808

IUPAC1-[2-[(E)-2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-4-yl]pyrrolidin-2-one
SMILESCc1ncc2nc(/C=C/c3nc(N4CCCC4=O)cn3C)nn2c1C
InChIInChI=1S/C17H19N7O/c1-11-12(2)24-15(9-18-11)19-13(21-24)6-7-14-20-16(10-22(14)3)23-8-4-5-17(23)25/h6-7,9-10H,4-5,8H2,1-3H3/b7-6+
InChIKeyKGMMLEDLMRZMEV-VOTSOKGWSA-N
MW337.39 g/mol
LogP1.77
Rot. Bonds3

About 1-[2-[(E)-2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-4-yl]pyrrolidin-2-one

1-[2-[(E)-2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-4-yl]pyrrolidin-2-one (PubChem CID 140739808) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-[2-[(E)-2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(E)-2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-4-yl]pyrrolidin-2-one
PubChem CID140739808
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name1-[2-[(E)-2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-4-yl]pyrrolidin-2-one
SMILESCc1ncc2nc(/C=C/c3nc(N4CCCC4=O)cn3C)nn2c1C
InChIInChI=1S/C17H19N7O/c1-11-12(2)24-15(9-18-11)19-13(21-24)6-7-14-20-16(10-22(14)3)23-8-4-5-17(23)25/h6-7,9-10H,4-5,8H2,1-3H3/b7-6+
InChIKeyKGMMLEDLMRZMEV-VOTSOKGWSA-N
XLogP1.77
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(E)-2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-4-yl]pyrrolidin-2-one (CID 140739808) is 1-[2-[(E)-2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(E)-2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(E)-2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-4-yl]pyrrolidin-2-one is Cc1ncc2nc(/C=C/c3nc(N4CCCC4=O)cn3C)nn2c1C.
What is the InChIKey of 1-[2-[(E)-2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-4-yl]pyrrolidin-2-one?
The InChIKey is KGMMLEDLMRZMEV-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H19N7O/c1-11-12(2)24-15(9-18-11)19-13(21-24)6-7-14-20-16(10-22(14)3)23-8-4-5-17(23)25/h6-7,9-10H,4-5,8H2,1-3H3/b7-6+.
What are the key properties of 1-[2-[(E)-2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-4-yl]pyrrolidin-2-one?
1-[2-[(E)-2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-4-yl]pyrrolidin-2-one has a molecular weight of 337.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 140739808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).