[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

C18H17N5O — CID 86264894

IUPAC[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C18H17N5O/c24-18(15-7-4-9-19-11-15)22-10-8-16(12-22)23-13-17(20-21-23)14-5-2-1-3-6-14/h1-7,9,11,13,16H,8,10,12H2
InChIKeyYQXPIUQGJJVHEO-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.43
Rot. Bonds3

About [3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 86264894) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is [3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID86264894
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C18H17N5O/c24-18(15-7-4-9-19-11-15)22-10-8-16(12-22)23-13-17(20-21-23)14-5-2-1-3-6-14/h1-7,9,11,13,16H,8,10,12H2
InChIKeyYQXPIUQGJJVHEO-UHFFFAOYSA-N
XLogP2.43
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 99757118
(3-methylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150088
naphthalen-2-yl-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150080
(6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 99986952
(4-tert-butylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150086
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 86264897
(4-methoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149874
(3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150004
(3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone
CID 46984125
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121150019
N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150130
(2,6-dimethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149915

Frequently Asked Questions

What is the IUPAC name of [3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 86264894) is [3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of [3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is YQXPIUQGJJVHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(15-7-4-9-19-11-15)22-10-8-16(12-22)23-13-17(20-21-23)14-5-2-1-3-6-14/h1-7,9,11,13,16H,8,10,12H2.
What are the key properties of [3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 319.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 86264894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).