cyclopropyl-[3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone

C17H20N4O — CID 110196049

IUPACcyclopropyl-[3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(Cc2nncn2-c2ccccc2)C1
InChIInChI=1S/C17H20N4O/c22-17(14-6-7-14)20-9-8-13(11-20)10-16-19-18-12-21(16)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2
InChIKeyYWRWVLSSARRJCG-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.07
Rot. Bonds4

About cyclopropyl-[3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone

cyclopropyl-[3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 110196049) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is cyclopropyl-[3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID110196049
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Namecyclopropyl-[3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(Cc2nncn2-c2ccccc2)C1
InChIInChI=1S/C17H20N4O/c22-17(14-6-7-14)20-9-8-13(11-20)10-16-19-18-12-21(16)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2
InChIKeyYWRWVLSSARRJCG-UHFFFAOYSA-N
XLogP2.07
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone (CID 110196049) is cyclopropyl-[3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone is O=C(C1CC1)N1CCC(Cc2nncn2-c2ccccc2)C1.
What is the InChIKey of cyclopropyl-[3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is YWRWVLSSARRJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(14-6-7-14)20-9-8-13(11-20)10-16-19-18-12-21(16)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2.
What are the key properties of cyclopropyl-[3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
cyclopropyl-[3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 296.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110196049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).