2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C16H15N5O — CID 24658259

IUPAC2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCCC1c1ccncc1
InChIInChI=1S/C16H15N5O/c22-16(12-3-4-13-14(10-12)19-20-18-13)21-9-1-2-15(21)11-5-7-17-8-6-11/h3-8,10,15H,1-2,9H2,(H,18,19,20)
InChIKeyHLIOLGFSMYIVBD-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.33
Rot. Bonds2

About 2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 24658259) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID24658259
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCCC1c1ccncc1
InChIInChI=1S/C16H15N5O/c22-16(12-3-4-13-14(10-12)19-20-18-13)21-9-1-2-15(21)11-5-7-17-8-6-11/h3-8,10,15H,1-2,9H2,(H,18,19,20)
InChIKeyHLIOLGFSMYIVBD-UHFFFAOYSA-N
XLogP2.33
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2H-benzotriazol-5-yl-(2-phenylpyrrolidin-1-yl)methanone
CID 24658228
2H-benzotriazol-5-yl-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 102557213
2H-benzotriazol-5-yl-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 124994429
2H-benzotriazol-5-yl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 18130242
(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46632632
(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939220
[3-(methoxymethyl)phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 86920457
2H-benzotriazol-5-yl-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 136518832
(2S)-1-(2H-benzotriazole-5-carbonyl)piperidine-2-carboxylic acid
CID 66263146
2H-benzotriazol-5-yl-[2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110117207
furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631497
(2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 24631475

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of 2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 24658259) is 2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is O=C(c1ccc2n[nH]nc2c1)N1CCCC1c1ccncc1.
What is the InChIKey of 2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is HLIOLGFSMYIVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c22-16(12-3-4-13-14(10-12)19-20-18-13)21-9-1-2-15(21)11-5-7-17-8-6-11/h3-8,10,15H,1-2,9H2,(H,18,19,20).
What are the key properties of 2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 293.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 24658259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).