1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]pyrrolidin-2-one

C14H17N5O — CID 44632119

IUPAC1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCn1cc(-c2ccccn2)nn1
InChIInChI=1S/C14H17N5O/c20-14-6-3-8-18(14)9-4-10-19-11-13(16-17-19)12-5-1-2-7-15-12/h1-2,5,7,11H,3-4,6,8-10H2
InChIKeyNXNOCGMMXAVSJW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.35
Rot. Bonds5

About 1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]pyrrolidin-2-one

1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]pyrrolidin-2-one (PubChem CID 44632119) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]pyrrolidin-2-one
PubChem CID44632119
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCn1cc(-c2ccccn2)nn1
InChIInChI=1S/C14H17N5O/c20-14-6-3-8-18(14)9-4-10-19-11-13(16-17-19)12-5-1-2-7-15-12/h1-2,5,7,11H,3-4,6,8-10H2
InChIKeyNXNOCGMMXAVSJW-UHFFFAOYSA-N
XLogP1.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]pyrrolidin-2-one (CID 44632119) is 1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]pyrrolidin-2-one is O=C1CCCN1CCCn1cc(-c2ccccn2)nn1.
What is the InChIKey of 1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]pyrrolidin-2-one?
The InChIKey is NXNOCGMMXAVSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14-6-3-8-18(14)9-4-10-19-11-13(16-17-19)12-5-1-2-7-15-12/h1-2,5,7,11H,3-4,6,8-10H2.
What are the key properties of 1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]pyrrolidin-2-one?
1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]pyrrolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 44632119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).