1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole

C15H15N5 — CID 166960926

IUPAC1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole
SMILESc1cnc(C2CCCN2)c(-n2nnc3ccccc32)c1
InChIInChI=1S/C15H15N5/c1-2-7-13-11(5-1)18-19-20(13)14-8-4-10-17-15(14)12-6-3-9-16-12/h1-2,4-5,7-8,10,12,16H,3,6,9H2
InChIKeyALMBWJPFFKUPPS-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.24
Rot. Bonds2

About 1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole

1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole (PubChem CID 166960926) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole.

Molecular Properties

Compound Name1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole
PubChem CID166960926
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole
SMILESc1cnc(C2CCCN2)c(-n2nnc3ccccc32)c1
InChIInChI=1S/C15H15N5/c1-2-7-13-11(5-1)18-19-20(13)14-8-4-10-17-15(14)12-6-3-9-16-12/h1-2,4-5,7-8,10,12,16H,3,6,9H2
InChIKeyALMBWJPFFKUPPS-UHFFFAOYSA-N
XLogP2.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-2-pyrrolidin-2-ylpyridine
CID 115008660
(2-pyrrolidin-2-yl-3-pyridinyl)boronic acid
CID 121234044
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole
CID 82249213
5-[(2R)-pyrrolidin-2-yl]quinoline
CID 66518640
2-[1-(2-pyrrolidin-2-yl-3-pyridinyl)pyrrolidin-2-yl]pyrazine
CID 173151036
2-(3-methyl-2-pyridinyl)azepane
CID 81148387
2-(benzotriazol-1-yl)pyridin-3-amine
CID 42281444
5-pyrrolidin-2-ylquinoxaline
CID 104614202
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride
CID 120576885
2-chloro-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55278492
1-(2-methoxyphenyl)benzotriazole
CID 53415460

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole?
The IUPAC name of 1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole (CID 166960926) is 1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole.
What is the SMILES notation for 1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole?
The canonical SMILES for 1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole is c1cnc(C2CCCN2)c(-n2nnc3ccccc32)c1.
What is the InChIKey of 1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole?
The InChIKey is ALMBWJPFFKUPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-7-13-11(5-1)18-19-20(13)14-8-4-10-17-15(14)12-6-3-9-16-12/h1-2,4-5,7-8,10,12,16H,3,6,9H2.
What are the key properties of 1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole?
1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole has a molecular weight of 265.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole is sourced from PubChem (CID 166960926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).