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

C17H22N6O — CID 120995171

IUPAC(2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C17H22N6O/c24-17(16-12-19-23(20-16)14-4-2-1-3-5-14)22-9-6-15(13-22)21-10-7-18-8-11-21/h1-5,12,15,18H,6-11,13H2
InChIKeyQODBFIAYBUGFHU-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.39
Rot. Bonds3

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

(2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120995171) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is (2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120995171
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name(2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C17H22N6O/c24-17(16-12-19-23(20-16)14-4-2-1-3-5-14)22-9-6-15(13-22)21-10-7-18-8-11-21/h1-5,12,15,18H,6-11,13H2
InChIKeyQODBFIAYBUGFHU-UHFFFAOYSA-N
XLogP0.39
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996125
3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159881
1,4-diazepan-1-yl-(2-phenyltriazol-4-yl)methanone
CID 28774472
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
[(3R)-3-aminopyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119412778
1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153964
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995115
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 115969425
(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 55178970
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 120660181
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916
(2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996015

Frequently Asked Questions

What is the IUPAC name of (2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120995171) is (2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is O=C(c1cnn(-c2ccccc2)n1)N1CCC(N2CCNCC2)C1.
What is the InChIKey of (2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is QODBFIAYBUGFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c24-17(16-12-19-23(20-16)14-4-2-1-3-5-14)22-9-6-15(13-22)21-10-7-18-8-11-21/h1-5,12,15,18H,6-11,13H2.
What are the key properties of (2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
(2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120995171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).