(3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

C18H17N5O — CID 56873523

IUPAC(3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cnnn1-c1ccccc1)N1CCCC1c1ccccn1
InChIInChI=1S/C18H17N5O/c24-18(17-13-20-21-23(17)14-7-2-1-3-8-14)22-12-6-10-16(22)15-9-4-5-11-19-15/h1-5,7-9,11,13,16H,6,10,12H2
InChIKeyROROMENWOCIYPI-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.64
Rot. Bonds3

About (3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

(3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 56873523) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
PubChem CID56873523
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cnnn1-c1ccccc1)N1CCCC1c1ccccn1
InChIInChI=1S/C18H17N5O/c24-18(17-13-20-21-23(17)14-7-2-1-3-8-14)22-12-6-10-16(22)15-9-4-5-11-19-15/h1-5,7-9,11,13,16H,6,10,12H2
InChIKeyROROMENWOCIYPI-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 47380030
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151
6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95871248
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
[2-hydroxy-4-(tetrazol-1-yl)phenyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 154888970
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 102555329
(2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72876256
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56873890
1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 95874922
[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 95720181
(2-pyridin-2-ylpyrrolidin-1-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 56895640

Frequently Asked Questions

What is the IUPAC name of (3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 56873523) is (3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is O=C(c1cnnn1-c1ccccc1)N1CCCC1c1ccccn1.
What is the InChIKey of (3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is ROROMENWOCIYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(17-13-20-21-23(17)14-7-2-1-3-8-14)22-12-6-10-16(22)15-9-4-5-11-19-15/h1-5,7-9,11,13,16H,6,10,12H2.
What are the key properties of (3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
(3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 319.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 56873523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).