1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one

C18H25N5O — CID 97333778

IUPAC1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESCCc1nnc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)n1C
InChIInChI=1S/C18H25N5O/c1-4-16-20-21-17(22(16)3)12-19-13(2)14-7-9-15(10-8-14)23-11-5-6-18(23)24/h7-10,13,19H,4-6,11-12H2,1-3H3/t13-/m1/s1
InChIKeyDEAIGXATLVNOHD-CYBMUJFWSA-N
MW327.43 g/mol
LogP2.36
Rot. Bonds6

About 1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one

1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 97333778) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
PubChem CID97333778
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESCCc1nnc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)n1C
InChIInChI=1S/C18H25N5O/c1-4-16-20-21-17(22(16)3)12-19-13(2)14-7-9-15(10-8-14)23-11-5-6-18(23)24/h7-10,13,19H,4-6,11-12H2,1-3H3/t13-/m1/s1
InChIKeyDEAIGXATLVNOHD-CYBMUJFWSA-N
XLogP2.36
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[4-[(1S)-1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
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1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride
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1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
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CID 166198033
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1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one
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1-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-(5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepin-3-ylmethyl)urea
CID 138016114
1-[4-[(1S)-1-[(4-amino-3-nitrophenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 97258229
1-[4-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one (CID 97333778) is 1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one is CCc1nnc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)n1C.
What is the InChIKey of 1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is DEAIGXATLVNOHD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-16-20-21-17(22(16)3)12-19-13(2)14-7-9-15(10-8-14)23-11-5-6-18(23)24/h7-10,13,19H,4-6,11-12H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 327.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 97333778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).