1-(2-methylpropyl)-4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one

C18H24N4O — CID 50973470

IUPAC1-(2-methylpropyl)-4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one
SMILESCC(C)CN1CC(c2n[nH]c(CCc3ccccc3)n2)CC1=O
InChIInChI=1S/C18H24N4O/c1-13(2)11-22-12-15(10-17(22)23)18-19-16(20-21-18)9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,20,21)
InChIKeyYSMRRTCYOFFPLF-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.56
Rot. Bonds6

About 1-(2-methylpropyl)-4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one

1-(2-methylpropyl)-4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one (PubChem CID 50973470) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one
PubChem CID50973470
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-(2-methylpropyl)-4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one
SMILESCC(C)CN1CC(c2n[nH]c(CCc3ccccc3)n2)CC1=O
InChIInChI=1S/C18H24N4O/c1-13(2)11-22-12-15(10-17(22)23)18-19-16(20-21-18)9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,20,21)
InChIKeyYSMRRTCYOFFPLF-UHFFFAOYSA-N
XLogP2.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-benzyl-1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2975791
2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2975955
N-(2-phenylethyl)-2-(4H-1,2,4-triazol-3-yl)acetamide
CID 1263172
[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70687723
3-phenyl-N-[N'-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamimidoyl]butanamide
CID 90667234
CID 2974351
CID 2974351
1-{2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl}piperidine
CID 50954302
1-Cyclopropanecarbonyl-4-(5-phenyl-4H-1,2,4-triazol-3-YL)piperidine
CID 51105571
2-(2-Fluorophenyl)-1-[3-(5-methyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]ethan-1-one
CID 53192164
1-[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]-3-phenyl-1-propanone
CID 53192443
3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidine
CID 56874754
N-({1-[2-(3-Fluorophenyl)ethyl]piperidin-4-YL}methyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-YL)propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methylpropyl)-4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one (CID 50973470) is 1-(2-methylpropyl)-4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one is CC(C)CN1CC(c2n[nH]c(CCc3ccccc3)n2)CC1=O.
What is the InChIKey of 1-(2-methylpropyl)-4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one?
The InChIKey is YSMRRTCYOFFPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(2)11-22-12-15(10-17(22)23)18-19-16(20-21-18)9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,20,21).
What are the key properties of 1-(2-methylpropyl)-4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one?
1-(2-methylpropyl)-4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one has a molecular weight of 312.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 50973470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).