5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine

C19H21N5O — CID 97206207

IUPAC5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine
SMILESCOc1ccc(-c2cn([C@@H]3CCN(Cc4ccccc4)C3)nn2)cn1
InChIInChI=1S/C19H21N5O/c1-25-19-8-7-16(11-20-19)18-14-24(22-21-18)17-9-10-23(13-17)12-15-5-3-2-4-6-15/h2-8,11,14,17H,9-10,12-13H2,1H3/t17-/m1/s1
InChIKeyHFUPIWGOXNOERY-QGZVFWFLSA-N
MW335.41 g/mol
LogP2.80
Rot. Bonds5

About 5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine

5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine (PubChem CID 97206207) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine
PubChem CID97206207
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine
SMILESCOc1ccc(-c2cn([C@@H]3CCN(Cc4ccccc4)C3)nn2)cn1
InChIInChI=1S/C19H21N5O/c1-25-19-8-7-16(11-20-19)18-14-24(22-21-18)17-9-10-23(13-17)12-15-5-3-2-4-6-15/h2-8,11,14,17H,9-10,12-13H2,1H3/t17-/m1/s1
InChIKeyHFUPIWGOXNOERY-QGZVFWFLSA-N
XLogP2.80
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(1-benzylpyrrolidin-3-yl)triazol-4-yl]-2-methoxypyridine
CID 72921380
(6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 99986952
1-[2-(1-benzylpyrrolidin-3-yl)ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 118770726
1-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 125157500
1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine
CID 130775574
N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide
CID 117082777
1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
CID 42541563
[(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol
CID 97307269
(2,6-dimethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149915
1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine
CID 138460517
5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]-2-methylpyrimidine;2,2,2-trifluoroacetic acid
CID 154891013
4-benzyl-7-[(6-methoxy-3-pyridinyl)methyl]-3,5a,6,8,9,9a-hexahydro-2H-pyrido[3,4-f][1,4]oxazepin-5-one
CID 134810836

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine?
The IUPAC name of 5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine (CID 97206207) is 5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine?
The canonical SMILES for 5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine is COc1ccc(-c2cn([C@@H]3CCN(Cc4ccccc4)C3)nn2)cn1.
What is the InChIKey of 5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine?
The InChIKey is HFUPIWGOXNOERY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N5O/c1-25-19-8-7-16(11-20-19)18-14-24(22-21-18)17-9-10-23(13-17)12-15-5-3-2-4-6-15/h2-8,11,14,17H,9-10,12-13H2,1H3/t17-/m1/s1.
What are the key properties of 5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine?
5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine has a molecular weight of 335.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine is sourced from PubChem (CID 97206207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).