(1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone

C17H23N5O — CID 71931378

IUPAC(1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCN(C)CC1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C1
InChIInChI=1S/C17H23N5O/c1-20(2)10-15-8-9-21(11-15)17(23)16-13-22(19-18-16)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyRUJFFXMIRMUOHP-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.35
Rot. Bonds5

About (1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone

(1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (PubChem CID 71931378) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is (1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
PubChem CID71931378
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name(1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCN(C)CC1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C1
InChIInChI=1S/C17H23N5O/c1-20(2)10-15-8-9-21(11-15)17(23)16-13-22(19-18-16)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyRUJFFXMIRMUOHP-UHFFFAOYSA-N
XLogP1.35
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545055
(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886791
(1-benzyltriazol-4-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
CID 95627873
(1-benzyltriazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623754
(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone
CID 119402143
1-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021758
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25374522
[4-(benzenesulfonyl)piperazin-1-yl]-(1-benzyltriazol-4-yl)methanone
CID 31769999
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
(4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione
CID 1499717
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-benzyltriazol-4-yl)methanone
CID 120746401
[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45176076

Frequently Asked Questions

What is the IUPAC name of (1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (CID 71931378) is (1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is CN(C)CC1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C1.
What is the InChIKey of (1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is RUJFFXMIRMUOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-20(2)10-15-8-9-21(11-15)17(23)16-13-22(19-18-16)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3.
What are the key properties of (1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
(1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71931378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).