[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone

C15H19N5O — CID 115969425

IUPAC[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCC(N)C1CCN(C(=O)c2cnn(-c3ccccc3)n2)C1
InChIInChI=1S/C15H19N5O/c1-11(16)12-7-8-19(10-12)15(21)14-9-17-20(18-14)13-5-3-2-4-6-13/h2-6,9,11-12H,7-8,10,16H2,1H3
InChIKeyDUYVJTIAADQSIM-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.08
Rot. Bonds3

About [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone

[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone (PubChem CID 115969425) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
PubChem CID115969425
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCC(N)C1CCN(C(=O)c2cnn(-c3ccccc3)n2)C1
InChIInChI=1S/C15H19N5O/c1-11(16)12-7-8-19(10-12)15(21)14-9-17-20(18-14)13-5-3-2-4-6-13/h2-6,9,11-12H,7-8,10,16H2,1H3
InChIKeyDUYVJTIAADQSIM-UHFFFAOYSA-N
XLogP1.08
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119412778
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
(4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 56817705
(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 55178970
(2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995171
[2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111435990
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 124691893
methyl 2-[(3R)-1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 99982434
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 119103853
1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153964
3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159881

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone (CID 115969425) is [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone is CC(N)C1CCN(C(=O)c2cnn(-c3ccccc3)n2)C1.
What is the InChIKey of [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The InChIKey is DUYVJTIAADQSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11(16)12-7-8-19(10-12)15(21)14-9-17-20(18-14)13-5-3-2-4-6-13/h2-6,9,11-12H,7-8,10,16H2,1H3.
What are the key properties of [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 115969425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).