[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone

C14H16BrN5O — CID 119410041

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone
SMILESCc1c(C(=O)N2CC[C@@H](N)C2)nnn1-c1cccc(Br)c1
InChIInChI=1S/C14H16BrN5O/c1-9-13(14(21)19-6-5-11(16)8-19)17-18-20(9)12-4-2-3-10(15)7-12/h2-4,7,11H,5-6,8,16H2,1H3/t11-/m1/s1
InChIKeyJXGTZYFYLAORLH-LLVKDONJSA-N
MW350.22 g/mol
LogP1.51
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone (PubChem CID 119410041) has the molecular formula C14H16BrN5O and a molecular weight of 350.22 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone
PubChem CID119410041
Molecular FormulaC14H16BrN5O
Molecular Weight350.22 g/mol
Exact Mass349.05
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone
SMILESCc1c(C(=O)N2CC[C@@H](N)C2)nnn1-c1cccc(Br)c1
InChIInChI=1S/C14H16BrN5O/c1-9-13(14(21)19-6-5-11(16)8-19)17-18-20(9)12-4-2-3-10(15)7-12/h2-4,7,11H,5-6,8,16H2,1H3/t11-/m1/s1
InChIKeyJXGTZYFYLAORLH-LLVKDONJSA-N
XLogP1.51
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-bromophenyl)-5-methyltriazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560541
[1-(3-bromophenyl)-5-methyltriazol-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 55871321
1-[4-[1-(3-bromophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-4-methylpentan-1-one
CID 55922392
[4-[1-(3-bromophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55976623
[4-[1-(3-bromophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-(3-chlorophenyl)methanone
CID 55870848
[1-(3-bromophenyl)-5-methyltriazol-4-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48690527
[1-(3-bromophenyl)-5-methyltriazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 55884201
[1-(3-bromophenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649295
2-[[1-(3-bromophenyl)-5-methyltriazole-4-carbonyl]-cyclopropylamino]acetic acid
CID 119195533
[(3R)-3-aminopyrrolidin-1-yl]-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone;dihydrochloride
CID 119411822
1-(3-bromophenyl)-N-(dicyclopropylmethyl)-5-methyltriazole-4-carboxamide
CID 87024267
(4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride
CID 119373681

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone (CID 119410041) is [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone is Cc1c(C(=O)N2CC[C@@H](N)C2)nnn1-c1cccc(Br)c1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone?
The InChIKey is JXGTZYFYLAORLH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16BrN5O/c1-9-13(14(21)19-6-5-11(16)8-19)17-18-20(9)12-4-2-3-10(15)7-12/h2-4,7,11H,5-6,8,16H2,1H3/t11-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone has a molecular weight of 350.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone is sourced from PubChem (CID 119410041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).