4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrrolidin-2-one

C13H20N4O — CID 50956691

IUPAC4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CC(c2n[nH]c(C3CC3)n2)CC1=O
InChIInChI=1S/C13H20N4O/c1-8(2)6-17-7-10(5-11(17)18)13-14-12(15-16-13)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyGBMBOHSGAFUXAV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.65
Rot. Bonds4

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

4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 50956691) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID50956691
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CC(c2n[nH]c(C3CC3)n2)CC1=O
InChIInChI=1S/C13H20N4O/c1-8(2)6-17-7-10(5-11(17)18)13-14-12(15-16-13)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyGBMBOHSGAFUXAV-UHFFFAOYSA-N
XLogP1.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isobutyl-4-(3-isobutyl-1H-1,2,4-triazol-5-yl)pyrrolidin-2-one
CID 50948113
4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
CID 75463312
1-Cyclopropanecarbonyl-4-[(5-cyclopropyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 91909437
1-Cyclopropanecarbonyl-4-(3-methyl-1H-1,2,4-triazol-5-YL)pyrrolidine-3-carboxamide
CID 91911154
N-Methyl-4-(3-methyl-1H-1,2,4-triazol-5-YL)pyrrolidine-3-carboxamide
CID 91911182
2-cyclopentyl-1-{3-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidinyl}-1-ethanone
CID 91914622
1-(2,2-Dimethylpropanoyl)-4-(3-methyl-1H-1,2,4-triazol-5-YL)pyrrolidine-3-carboxamide
CID 91923330
1-Cyclopropanecarbonyl-4-[(5-ethyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 124043116
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-sulfanylpropan-1-one
CID 177681198
3-(5-Amino-1H-1,2,4-triazol-3-yl)-1-(pyrrolidin-1-yl)propan-1-one
CID 91704689
3-[2-Oxo-2-(1-pyrrolidinyl)ethyl]-1H-1,2,4-triazol-5-amine
CID 45791191
1-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 95207918

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrrolidin-2-one (CID 50956691) is 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrrolidin-2-one is CC(C)CN1CC(c2n[nH]c(C3CC3)n2)CC1=O.
What is the InChIKey of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is GBMBOHSGAFUXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8(2)6-17-7-10(5-11(17)18)13-14-12(15-16-13)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrrolidin-2-one?
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 50956691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).