1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one

C18H17F2N5O — CID 162740291

IUPAC1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one
SMILESCc1ccc(F)c(F)c1.O=C1CCCN1c1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C11H11N5O.C7H6F2/c17-9-2-1-7-16(9)11-13-10(14-15-11)8-3-5-12-6-4-8;1-5-2-3-6(8)7(9)4-5/h3-6H,1-2,7H2,(H,13,14,15);2-4H,1H3
InChIKeyASQFUKJLPLYNMH-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.27
Rot. Bonds2

About 1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one

1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one (PubChem CID 162740291) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is 1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one
PubChem CID162740291
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one
SMILESCc1ccc(F)c(F)c1.O=C1CCCN1c1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C11H11N5O.C7H6F2/c17-9-2-1-7-16(9)11-13-10(14-15-11)8-3-5-12-6-4-8;1-5-2-3-6(8)7(9)4-5/h3-6H,1-2,7H2,(H,13,14,15);2-4H,1H3
InChIKeyASQFUKJLPLYNMH-UHFFFAOYSA-N
XLogP3.27
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 58845272
3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
CID 162784483
1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 162740248
(3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
CID 162784521
2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 162740265
4-chloro-1-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 168688096
3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one
CID 162784417
1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
CID 172517099
1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 166608936
(6S)-6-[(4-chlorophenyl)methyl]-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-1,4-diazepan-5-one
CID 175630837
3-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
CID 162784327
1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
CID 166167104

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one (CID 162740291) is 1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one is Cc1ccc(F)c(F)c1.O=C1CCCN1c1n[nH]c(-c2ccncc2)n1.
What is the InChIKey of 1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one?
The InChIKey is ASQFUKJLPLYNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O.C7H6F2/c17-9-2-1-7-16(9)11-13-10(14-15-11)8-3-5-12-6-4-8;1-5-2-3-6(8)7(9)4-5/h3-6H,1-2,7H2,(H,13,14,15);2-4H,1H3.
What are the key properties of 1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one?
1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one has a molecular weight of 357.36 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 162740291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).